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<a class="" href="./research.html">Research <i class="arrow down" style="margin-bottom: 4%;"></i></a>
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<li><a href="./research.html#IceNucleation">Ice Nucleation</a></li>
<li><a href="./research.html#RareEvent">Rare Event Simulations</a></li>
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<li><a href="./research.html#Polyamide Desalination Membrane">Polyamide Desalination Membrane</a></li>
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<!-- 2024 -->
<p style="color: #ffcc33; margin-left:5px;font-size:200%;margin-bottom:1px;"> 2024</p>
<hr style="border:2px solid #7a0019;border-radius: 1px;margin-left:5px;margin-right:20px;margin-top:1px;;font-weight:bold">
<!-- October -->
<p style="color: #ffcc33; font-size: 200%; margin-left:5px; margin-right:20px; margin-bottom: -20px; margin-top: 20px;">October</p><hr style="margin-left:5px;margin-right:20px;">
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<div class="col-sm-3 col-md-3 col-lg-3 text-center";><img class="example-image" src="Data/Pictures/logos/comsef.jpg" style="width: 80%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Dr. Sarupria's plenary talk at AIChE </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Dr. Sarupria recently delivered a plenary talk at the AIChE conference in San Diego, CA,
where she discussed our work on using molecular simulations and physics-informed machine learning
to uncover hidden, short-lived structures in crystal nucleation. Additionally, she highlighted the
importance of inclusivity in scientific communities, particularly regarding “invisible disabilities,”
and shared ideas for fostering a supportive, diverse environment.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<!-- <div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><img class="example-image" src="Data/Pictures/logos/acs.jpg" style="width: 80%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Dr. Sarupria presents at 2024 ACS Midwest Regional Meeting </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Dr. Sarupria recently presented our work on "In silico engineering of enzymes and peptides".
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;"> -->
<!-- September -->
<p style="color: #ffcc33; font-size: 200%; margin-left:5px; margin-right:20px; margin-bottom: -20px; margin-top: 20px;">September</p><hr style="margin-left:5px;margin-right:20px;">
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<div class="col-sm-3 col-md-3 col-lg-3 text-center";><img class="example-image" src="Data/Pictures/logos/tsrc.svg" style="width: 80%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Dr. Sarupria presents at TSRC </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Dr. Sarupria recently presented our work "Heterogeneous ice nucleation: What can simulations tell us?" at the
"Cryopreservation Grand Challenges: Fundamental Molecular Science to Applications" workshop, which was hosted by
the Telluride Science & Innovation Center (TSRC). This workshop aims to convene molecular scientists with cryopreservation
practitioners to identify and address grand challenges facing cryopreservation research from
fundamental molecular science to applications for preservation of cells, tissue, organs, and organisms.
</p>
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<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Dr. Sarupria presents at Lorentz Center, Netherlands </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Dr. Sarupria recently presented our work <a href="https://arxiv.org/abs/2405.09642">LEAPP: Learning pathways to polymorphs
through machine learning analysis of atomic trajectories"</a> at the "A Time Warp in Digital Chemical Discoveries" workshop.
This workshop focuses on expanding expertise in path sampling and machine learning to improve the understanding
and control of chemical reactions.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<!-- August -->
<p style="color: #ffcc33; font-size: 200%; margin-left:5px; margin-right:20px; margin-bottom: -20px; margin-top: 20px;">August</p><hr style="margin-left:5px;margin-right:20px;">
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<div class="col-sm-3 col-md-3 col-lg-3 text-center";><img class="example-image" src="Data/Pictures/logos/acs.jpg" style="width: 80%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Dr. Sarupria presents LeaPP at ACS </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Dr. Sarupria recently delivered a talk titled "Learning Pathways to Polymorphs" (LeaPP) at the ACS conference in Colorado, where she highlighted the synergistic integration of molecular dynamics simulations with physics-informed machine learning.
Her presentation focused on how this combined approach enhances our understanding of nucleation pathways.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
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<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/news/2024_Anika_CSPREU.jpg" data-lightbox="example-set57"><img class="example-image" src="Data/Pictures/news/2024_Anika_CSPREU.jpg" style="width: 80%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Anika presents at CSP Summer Undergraduate Talks</h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
We're thrilled to share that Anika has successfully wrapped up her summer undergraduate research with our group! She did a fantastic job presenting at the Center for Sustainable Polymers,
where she showcased her work on "Molecular Dynamics Simulations and Network Analysis Towards Evolution of de novo Enzymes." We're so proud of her accomplishments and the passion she brought to this project!
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<!-- July -->
<p style="color: #ffcc33; font-size: 200%; margin-left:5px; margin-right:20px; margin-bottom: -20px; margin-top: 20px;">July</p><hr style="margin-left:5px;margin-right:20px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/news/2024_icomse-2.jpg" data-lightbox="example-set55"><img class="example-image" src="Data/Pictures/news/2024_icomse-2.jpg" style="width: 80%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> SAMPEL Group hosts the 8th i-CoMSE workshop</h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
The <a href="https://github.com/icomse/8th_workshop_MachineLearning">8th i-CoMSE workshop</a>, hosted by the SAMPEL group at UMN,
featured a mix of lectures and hands-on exercises running ML algorithms with molecular simulations on national
supercomputing resources.
<br>
<br>
The workshop could not have come to fruition without the lectures and exercises provided by the instructors (Dr. Yamil Colon, Dr. Michael Shirts, Dr. Shuwen Yue, Dr. Amit Gupta, Dr. Ilia Nikiforov)
and assistance provided by our TAs (Naomi Trampe, Praveen Muralikrishnan, Anika Friedman). Furthermore the workshop also included a session on diversity, equity,
and inclusion aspects of computational sciences that was run by Dr. Sarupria, Dr. Colon and Dr. Shirts.
</p>
</div>
</div>
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<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/logos/comsef.jpg" data-lightbox="example-set53"><img class="example-image" src="Data/Pictures/logos/comsef.jpg" style="width: 80%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Dr. Sarupria recieves the CoMSEF Impact Award </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
We are proud to share SAMPEL group's new milestone! Dr. Sarupria has recently been awarded the Computational Molecular Science and Engineering Forum (CoMSEF) Impact Award,
which recognizes outstanding research in computational molecular science and engineering, encompassing both methods and applications.
<br/>
<br/>
More information about the award can be found <a href="http://comsef.org/impact"> here.</a> Additionally, Dr. Sarupria will be giving a <a href="https://aiche.confex.com/aiche/2024/meetingapp.cgi/Program/3442">plenary talk at the AIChE in Fall.</a>
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<!-- June -->
<p style="color: #ffcc33; font-size: 200%; margin-left:5px; margin-right:20px; margin-bottom: -20px; margin-top: 20px;">June</p><hr style="margin-left:5px;margin-right:20px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/news/2024_summerREUs_v2.png" data-lightbox="example-set54"><img class="example-image" src="Data/Pictures/news/2024_summerREUs_v2.png" style="width: 80%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Highlighting 2024 Summer Researchers in the SAMPEL Group</h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
We are excited to welcome several new visiting researchers to the lab this summer: (pictured left to right, top to bottom) Jack Hoppe (University of Minnesota), Jonathan Zajac (University of Minnesota),
Milan Darji (Minnetonka High School), Pranika Kumar (Edina High School), Adeline Lovaas (Edina High School), Akash Dip Paik (Indian Association for the Cultivation of Science) and Anika Nagpal (Bowdoin College).
<br>
<br>
Together, everyone is working collaboratively with Jonathan on developing a novel computational framework for evolving efficient enzymes by integrating generative diffusion
models, network theory, molecular simulations, and a central genetic algorithm. This approach efficiently explores the vast enzyme design space by balancing exploration and exploitation,
allowing rapid design of novel proteins.
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/news/mda.png" data-lightbox="example-set52"><img class="example-image" src="Data/Pictures/news/mda.png" style="width: 50%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Naomi wins the travel award for MDAnalysis/MolSSI workshop! </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Congrats to Naomi for being selected as the travel award recipient for the upcoming MDAnalysis/MolSSI workshop in Tempe, Arizona at Arizona State University!
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<!-- May -->
<p style="color: #ffcc33; font-size: 200%; margin-left:5px; margin-right:20px; margin-bottom: -20px; margin-top: 20px;">May</p><hr style="margin-left:5px;margin-right:20px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/news/2024-Milan.jpeg" data-lightbox="example-set51"><img class="example-image" src="Data/Pictures/news/2024-Milan.jpeg" style="width: 80%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Highlighting Milan!! </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Congrats to Milan Darji on completing a mentorship with the SAMPEL group during his
sophomore year at Minnetonka High School! Milan has worked on the design of protein scaffolds
using probabilistic diffusion models, and has presented his work at the Minnesota State Science Fair.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<!-- April -->
<p style="color: #ffcc33; font-size: 200%; margin-left:5px; margin-right:20px; margin-bottom: -20px; margin-top: 20px;">April</p><hr style="margin-left:5px;margin-right:20px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/logos/NSFCSP-LOGO2.jpg" data-lightbox="example-set50"><img class="example-image" src="Data/Pictures/logos/NSFCSP-LOGO2.jpg" style="width:90%;margin:10px;max-height:250px;margin-top:25px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Salman and Varun present at the NSF Center for Sustainable Polymers (CSP) Annual Meeting </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Salman and Varun presented their recent findings on the polyamide fouling mechanism.
They got useful feedback from the industry attendees for the possible follow-up studies.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/logos/SAMPEL-logo-FINAL.png" data-lightbox="example-set49"><img class="example-image" src="Data/Pictures/logos/SAMPEL-logo-FINAL.png" style="width: 80%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> SAMPEL Group wins poster presentations the MSI Research Exhition </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
The SAMPEL group presented their respective work at the MSI Research Exhibition.
Jonathan presented his work on Trp-Cage, PH and Steven presented their work on machine learning in nucleation,
Salman presented his work on fouling in the polyadmide membrane, and Naomi presented her work on high-throughput
simulations of ions selectivity in zeolites.
<br/>
<br/>
Jonathan's poster won the grand prize in the life science category of the exhibition.
PH and Steven's poster were runner-ups in the physical science category and received the finalist travel award.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/news/2024-Stahl-award.jpg" data-lightbox="example-set48"><img class="example-image" src="Data/Pictures/news/2024-Stahl-award.jpg" style="width: 80%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> PH and Steven wins first place poster at the 2024 Stahl Forum </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
PH and Steven presented their work on machine learning in nucleation at the 2024 Peter O. Stahl Advanced Design Forum, hosted
by the Department of Chemical Engineering and Materials Science at Medtronics. Their poster won the first place in the poster competition.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/logos/clemson-paw.jpg" data-lightbox="example-set47"><img class="example-image" src="Data/Pictures/logos/clemson-paw.jpg" style="width: 80%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Salman gets a supplementary travel award! </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Salman got a supplementary travel award from the College of Engineering, Computing, and Applied Sciences (CECAS) Graduate Student Advisory Board (GSAB) at Clemson University.
This award is given to one grad student in each department of the CECAS.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/GroupPictures/2024/202404-SalmanDefense/main.jpg" data-lightbox="example-set46"><img class="example-image" src="Data/Pictures/GroupPictures/2024/202404-SalmanDefense/main.jpg" style="width: 80%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Salman successfully defends his thesis! </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Congratulations to Dr. Salman Bin Kashif for his successful thesis defense!
<br/>
<br/>
Salman has been a great mentor and a great friend to all of us in the group.
We will miss you and we can't wait to see what you do next!
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<!-- March -->
<p style="color: #ffcc33; font-size: 200%; margin-left:5px; margin-right:20px; margin-bottom: -20px; margin-top: 20px;">March</p><hr style="margin-left:5px;margin-right:20px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/GroupPictures/2024/202403-APS-MarMeeting/2024-APS-MarMeeting-e.jpg" data-lightbox="example-set45"><img class="example-image" src="Data/Pictures/GroupPictures/2024/202403-APS-MarMeeting/2024-APS-MarMeeting-e.jpg" style="width: 80%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> SAMPEL Group at 2024 APS March Meeting </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
The SAMPEL group presented at the 2024 APS March Meeting. Together, we spanned a wide range of talks from ions transport in zeolites to stabilization of
biological molecules to machine learning in rare event sampling and investigating nucleation.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<!-- February -->
<p style="color: #ffcc33; font-size: 200%; margin-left:5px; margin-right:20px; margin-bottom: -20px; margin-top: 20px;">February</p><hr style="margin-left:5px;margin-right:20px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/news/2024-cecam-meeting.jpeg" data-lightbox="example-set44"><img class="example-image" src="Data/Pictures/news/2024-cecam-meeting.jpeg" style="width: 80%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Dr. Sarupria presents at ViRAPID Workshop </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Dr. Sarupria presented our work on machine learning in nucleation at the first ViRAPID workshop, in Vienna, Austria. This event aims at uniting experts active and interested in the fields of rare event sampling, machine learning, and excited states. It constitutes a
unique opportunity to communicate the current limitations in each of the fields and to initiate a dialog that allows to advance and develop new ideas bridging the fields.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="" data-lightbox="example-set43"><img class="example-image" src="" style="width: 70%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> SAMPEL Group at 6th i-CoMSE Workshop </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
We are back for the second virtual i-CoMSE, where we discussed and demonstrated toy models for different enhanced sampling methods.
As a part of the virtual school, the SAMPEL Group led two sessions on path sampling techniques such as transition path sampling (TPS),
transition interface sampling (TIS), forward flux sampling (FFS),
and contour forward flux sampling (cFFS).
<br/>
<br/>
All workshop resources will be available on the <a href="https://www.i-comse.org/">i-CoMSE website</a>, and coding details for this workshop are already available on
the <a href="https://github.com/icomse/6th_workshop_advanced_sampling/tree/main/Thursday">i-CoMSE GitHub repo</a>.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="" data-lightbox="example-set42"><img class="example-image" src="" style="width: 70%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Dr. Sarupria presents at Harvard University </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Dr. Sarupria was invited as part of a special seminar series at Harvard University. There,
she gave a pedagogical introduction to the path sampling techniques and discussed the
challenges in applying these methods to systems with complex energy landscapes like gas hydrates and Lennard
Jones nucleation. She also highlighted our work on heterogeneous ice nucleation and methods developed to enable
high-throughput studies of heterogeneous nucleation in simulations.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<!-- End of 2024 -->
<!-- 2023 -->
<p style="color: #ffcc33; margin-left:5px;font-size:200%;margin-bottom:1px;"> 2023</p>
<hr style="border:2px solid #7a0019;border-radius: 1px;margin-left:5px;margin-right:20px;margin-top:1px;;font-weight:bold">
<!-- December -->
<p style="color: #ffcc33; font-size: 200%; margin-left:5px; margin-right:20px; margin-bottom: -20px; margin-top: 20px;">December</p><hr style="margin-left:5px;margin-right:20px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/news/2023_Aashish_RE.jpg" data-lightbox="example-set56"><img class="example-image" src="Data/Pictures/news/2023_Aashish_RE.jpg" style="width: 80%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Highlighting Aashish! </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
We are pleased to host Aashish Aggarwal, a visiting graduate student from IIT Delhi, this winter. He will be collaborating with our nucleation team,
Steven and PH, to apply graph neural networks (GNNs) in elucidating nucleation mechanisms.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="" data-lightbox="example-set42"><img class="example-image" src="" style="width: 70%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Dr. Sarupria presents at Wayne State University </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Dr. Sarupria gave a talk titled "Symphony of interactions: Interfacial water, ions, and phase transitions"
at a graduate seminar series at Wayne State University.
In her talk, she highlighted our work in using advanced sampling methods to
investigate ice nucleation on mineral surfaces and soft polymeric surfaces.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<!-- November -->
<p style="color: #ffcc33; font-size: 200%; margin-left:5px; margin-right:20px; margin-bottom: -20px; margin-top: 20px;">November</p><hr style="margin-left:5px;margin-right:20px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/journalcovers/2023-Dasetty-Zajac-MSDE-Cover.png" data-lightbox="example-set42"><img class="example-image" src="Data/Pictures/journalcovers/2023-Dasetty-Zajac-MSDE-Cover.png" style="width: 70%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Our MDSE cover art is out now! </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Recently, our group published a paper titled<a href="https://pubs.rsc.org/en/content/articlepdf/2023/ME/D3ME00013C?page=search"> "Exploitation of active site flexibility-low
temperature activity relation for engineering broad range temperature active enzymes"</a> by Siva Dasetty, Jonathan Zajac, and Dr. Sarupria. Along
with this work, we also have a cover art that was designed by Jonathan Zajac as well!
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<!-- October -->
<p style="color: #ffcc33; font-size: 200%; margin-left:5px; margin-right:20px; margin-bottom: -20px; margin-top: 20px;">October</p><hr style="margin-left:5px;margin-right:20px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Dr. Sarupria presents at University of Washington </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Dr. Sarupria gave a talk titled "Molecular Design of Materials: From Clouds to Brain Tumors" at a graduate seminar series at the University of Washington.
In her talk, she highlighted the synergistic combination of experiments and simulations in understanding materials relevant to precipitation in clouds and materials used to treat brain tumors.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/logos/INP-Colloquium.png" data-lightbox="example-set41"><img class="example-image" src="Data/Pictures/logos/INP-Colloquium.png" style="width: 70%;margin:40px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Dr. Sarupria presents at INP Colloquium </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Dr. Sarupria gave a talk titled "Mica, Water, Ice: It's complicated." at the Virtual INP Colloquium. This virtual Ice Nucleation colloquium is an
international platform to share and discuss current research around ice nucleation processes in the atmosphere. For more information regarding future
talks, please visit: <a href="https://iac.ethz.ch/news-and-events/colloquium.html">https://iac.ethz.ch/news-and-events/colloquium.html</a>
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<!-- August -->
<p style="color: #ffcc33; font-size: 200%; margin-left:5px; margin-right:20px; margin-bottom: -20px; margin-top: 20px;">August</p><hr style="margin-left:5px;margin-right:20px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/logos/grc_logo.png" data-lightbox="example-set40"><img class="example-image" src="Data/Pictures/logos/grc_logo.png" style="width: 20%;margin:20px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Dr. Sarupria presents at GRC Liquids </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Dr. Sarupria gave a talk titled "A Symphony of Interactions: Interfacial Water, Ions, and Phase Transitions" at the Gordon Conference on the Chemistry
and Physics of Liquids. There, she also led the GRC Liquids Power Hour, which addressed diversity and inclusion in the scientific workplace,
with Dr. Zahra Fakhraai.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<!-- July -->
<p style="color: #ffcc33; font-size: 200%; margin-left:5px; margin-right:20px; margin-bottom: -20px; margin-top: 20px;">July</p><hr style="margin-left:5px;margin-right:20px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/news/2023-icomse-ml.jpeg" data-lightbox="example-set39"><img class="example-image" src="Data/Pictures/news/2023-icomse-ml.jpeg" style="width: 70%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> SAMPEL group hosts i-CoMSE workshop </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
The <a href="https://www.i-comse.org/workshops/">5th i-CoMSE workshop</a>, hosted by the SAMPEL group at UMN, featured a mix of lectures and hands-on exercises
running ML algorithms with molecular simulations on national supercomputing resources. The workshop also included a session on diversity,
equity, and inclusion aspects of computational sciences that was run by Dr. Sarupria and Dr. Jankowski. This marked the largest i-CoMSE workshop thus far
and we could not be more proud to pull it off as a team.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<!-- June -->
<p style="color: #ffcc33; font-size: 200%; margin-left:5px; margin-right:20px; margin-bottom: -20px; margin-top: 20px;">June</p><hr style="margin-left:5px;margin-right:20px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/logos/3M.jpeg" data-lightbox="example-set38"><img class="example-image" src="Data/Pictures/logos/3M.jpeg" style="width: 70%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Varun & Salman present at a 3M poster session </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Varun and Salman were one of 40 groups selected by 3M to present their research to at a poster session.
They presented on the groups efforts to apply machine learning to accelerate sampling in MD simulations.
Session attendees included industry-minded executives, scientists, and engineers from 3M.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/news/2023-Sarupria-PGD70.jpg" data-lightbox="example-set37"><img class="example-image" src="Data/Pictures/news/2023-Sarupria-PGD70.jpg" style="width: 70%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Dr. Sarupria presents at a symposium in celebration of Dr. Pablo Debenedetti's 70th Birthday (PGD70)</h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
To celebrate Dr. Pablo Debenedetti’s 70th birthday and
his contributions to thermodynamics, statistical mechanics, and molecular simulation,
Princeton University hosted an international scientific symposium. There, Dr. Sarupria presented a talk
titled "A Symphony of Interactions: Interfacial Water, Ions, and Phase Transitions".
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<!-- May -->
<p style="color: #ffcc33; font-size: 200%; margin-left:5px; margin-right:20px; margin-bottom: -20px; margin-top: 20px;">May</p><hr style="margin-left:5px;margin-right:20px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/news/2023-Sarupria-UMD-MolSSI-MLworksop.jpeg" data-lightbox="example-set36"><img class="example-image" src="Data/Pictures/news/2023-Sarupria-UMD-MolSSI-MLworksop.jpeg" style="width: 70%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Dr. Sarupria presents at the MolSSI ML workshop in UMD </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Dr. Sarupria was invited to speak at a machine learning workshop titled "Machine Learning and Chemistry: Are We There Yet?" at the University of Maryland.
In her talk, she presented on our group's work in finding the hidden dimensions in structural transitions.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/news/2023-NaomiOPE.jpg" data-lightbox="example-set35"><img class="example-image" src="Data/Pictures/news/2023-NaomiOPE.jpg" style="width: 70%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;">Naomi passes the Oral Preliminary Exam! </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Congratulations to Naomi for passing her OPE! With Naomi joining the PhD Candidate tally -
all of the 2nd years are now finished with their preliminary exams! Exciting research work ahead for us all!
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/news/2023-SinaThesisDefense.jpg" data-lightbox="example-set34"><img class="example-image" src="Data/Pictures/news/2023-SinaThesisDefense.jpg" style="width: 70%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;">Sina successfully defends their thesis! </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Congratulations to Dr. Chiniforoush for successfully defending their thesis titled "Combined Application of Density Functional Theory and Molecular Mechanics
Sampling Techniques on Chemical Systems, from Intramolecular Rearrangements to Polymerization Reactions"! We are proud of your achievements and wish you all the best
in your future career!
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/news/2023-PraveenOPE.jpg" data-lightbox="example-set33"><img class="example-image" src="Data/Pictures/news/2023-PraveenOPE.jpg" style="width: 70%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;">Praveen passes the Oral Preliminary Exam!</h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
And another PhD Candidate is added to the tally! Congratulations, Praveen!
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<!-- April -->
<p style="color: #ffcc33; font-size: 200%; margin-left:5px; margin-right:20px; margin-bottom: -20px; margin-top: 20px;">April</p><hr style="margin-left:5px;margin-right:20px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/news/2023-YouchiOPE.jpg" data-lightbox="example-set32"><img class="example-image" src="Data/Pictures/news/2023-YouchiOPE.jpg" style="width: 70%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;">Youchi passes the Oral Preliminary Exam!</h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Youchi made a leap and is now a graduate from our group with a Master's of Science! Congratulations, Youchi!
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/news/2023-MSIExhibitFinalists.png" data-lightbox="example-set31"><img class="example-image" src="Data/Pictures/news/2023-MSIExhibitFinalists.png" style="width: 80%;margin:10px;max-height:250px;margin-top:30px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;">SAMPEL group has 2 finalists at the Minnesota Supercomputing Institute’s Research Exhibition poster competition!</h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Out of 50 submitted posters, Salman & Varun and Jonathan & Praveen were two of the six finalists.
Both groups received a $1,000 travel award.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/news/2023-NSFAnnualCSPTalk.png" data-lightbox="example-set30"><img class="example-image" src="Data/Pictures/news/2023-NSFAnnualCSPTalk.png" style="width:70%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;">Varun presents at the annual meeting for the NSF Center for Sustainable Polymers </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Varun presented a poster at titled “Overcoming near-sightedness in protein-surface molecular simulations with machine learning lenses.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/projectDescriptions/Enzymes.png" data-lightbox="example-set29"><img class="example-image" src="Data/projectDescriptions/Enzymes.png" style="width:70%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Dr. Sarupria presents at University of Central Arkansas </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Dr. Sarupria presented on "In Silico Engineering of Enzymes and Peptides" at U of Central Arkansas,
where she highlighted (i) insights gained through molecular dynamics simulations combined with network analysis on lipases,
and (ii)our recent work on engineering self-assembling peptides for drug delivery applications.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<!-- March -->
<p style="color: #ffcc33; font-size: 200%; margin-left:5px; margin-right:20px; margin-bottom: -20px; margin-top: 20px;">March</p><hr style="margin-left:5px;margin-right:20px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/news/2023_icomse_Lecture.png" data-lightbox="example-set28"><img class="example-image" src="Data/Pictures/news/2023_icomse_Lecture.png" style="width:70%;margin:10px;max-height:250px;margin-top:40px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> SAMPEL Group at i-CoMSE Enhanced Sampling Workshop </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
i-CoMSE conducted the 'Enhanced Sampling Virtual School' with over 50 attendees! As a part of the virtual school, the SAMPEL Group led two sessions
on path sampling techniques such as transition path sampling (TPS), transition interface sampling (TIS), forward flux sampling (FFS),
and contour forward flux sampling (cFFS), which aim at elucidating the rate and mechnanisms of the reaction of interest.
<br/>
<br/>
All workshop resources will be available on the <a href="https://www.i-comse.org/">i-CoMSE website</a>, but some coding details are already available on
the <a href="https://github.com/icomse/3rd_workshop_advanced_sampling">i-CoMSE GitHub repo</a>.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/news/2023-Sarupria-RareEvent-UMD.png" data-lightbox="example-set27"><img class="example-image" src="Data/Pictures/news/2023-Sarupria-RareEvent-UMD.png" style="width:70%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Dr. Sarupria presents at Brin Mathematics Research Center's Rare Event Workshop </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Dr. Sarupria gave a talk on the applications of path sampling on nucleation work at the
Brin Mathematics Research Center of the University of Maryland (UMD). Her talk focused on quantifying the
quality of sampling from forward flux sampling and transition interface sampling as well as discussing about
our efforts in developing novel methods to extract structural information for insights into the nucleation process.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<!-- February -->
<p style="color: #ffcc33; font-size: 200%; margin-left:5px; margin-right:20px; margin-bottom: -20px; margin-top: 20px;">February</p><hr style="margin-left:5px;margin-right:20px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/news/2023-PeterStallDesForum-Poster.jpeg" data-lightbox="example-set26"><img class="example-image" src="Data/Pictures/news/2023-PeterStallDesForum-Poster.jpeg" style="width:70%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Jonathan and Praveen presents at Peter O. Stahl Advanced Design Forum </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Jonathan and Praveen presented their poster "Towards Machine Learning Enabled Discovery of Thermostable Vaccines",
at the Peter O. Stahl Advanced Design Forum, which detailed their current work on amino acid excipients and their proposed
future work utilizing machine learning models.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/news/2023-PH-OPE.jpg" data-lightbox="example-set25"><img class="example-image" src="Data/Pictures/news/2023-PH-OPE.jpg" style="width:70%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> PH passes the Oral Preliminary Exam! </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
PH passed her oral qualifier! She is now a PhD candidate. Congratulations PH!!
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/news/2023-JonathanOPE.jpg" data-lightbox="example-set24"><img class="example-image" src="Data/Pictures/news/2023-JonathanOPE.jpg" style="width:70%;margin:10px;max-height:250px;margin-bottom:0px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Jonathan passes the Oral Preliminary Exam! </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
Congratulations to Jonathan Zajac for passing his oral qualifier! He is now a PhD Candidate!!
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/logos/STMS-Youtube-Channel.png" data-lightbox="example-set23"><img class="example-image" src="Data/Pictures/logos/STMS-Youtube-Channel.png" style="width:90%;margin:10px;max-height:250px;margin-top:25px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> STMS Seminar Series Youtube Channel is Live! </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
The STMS Seminar Series Youtube Channel is finally here! Now, participants can access previous STMS seminar recordings
via <a href="https://www.youtube.com/@stmsseminarseries49/videos">https://www.youtube.com/@stmsseminarseries49/videos</a>
for amazing stat. thermo. and molecular simulations talks!
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">
<!-- January -->
<p style="color: #ffcc33; font-size: 200%; margin-left:5px; margin-right:20px; margin-bottom: -20px; margin-top: 20px;">January</p><hr style="margin-left:5px;margin-right:20px;">
<div class="row">
<div class="col-sm-3 col-md-3 col-lg-3 text-center";><a class="example-image-link" href="Data/Pictures/logos/NSFCSP-LOGO2.jpg" data-lightbox="example-set22"><img class="example-image" src="Data/Pictures/logos/NSFCSP-LOGO2.jpg" style="width:90%;margin:10px;max-height:250px;margin-top:40px;" oncontextmenu=" false;" alt="" /></a></div>
<div class="col-sm-9 col-md-9 col-lg-9"><h5 style="font-weight:bold;font-size:150%;margin:5px;"> Varun is awarded a travel grant from the NSF Center for Sustainable Polymers! </h5>
<hr style="margin-top:1px;margin-bottom:1px;margin-right:20px;margin-left:5px;">
<p style="margin:10px;margin-bottom:1px;">
The NSF CSP approved a Researcher in Residency proposal submitted by Varun.
The award covers expenses up to $2,500 to visit collaborators at a different research institution.
Varun will use this opportunity to get hands-on training in the areas of machine learning
and molecular simulation related to his project.
</p>
</div>
</div>
<hr style="margin-left:5px;margin-right:20px;margin-bottom:1px;">