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@misc{atomate2, | ||
title = {Atomate2}, | ||
url = {https://github.com/materialsproject/atomate2} | ||
} | ||
@misc{quacc, | ||
doi = {10.5281/zenodo.7720998}, | ||
title = {Quacc -- The Quantum Accelerator}, | ||
url = {https://github.com/Quantum-Accelerators/quacc} | ||
} | ||
@software{rxnnetwork, | ||
title = {Reaction Network}, | ||
url = {https://github.com/materialsproject/reaction-network} | ||
} | ||
@article{pizzi2016aiida, | ||
title={AiiDA: automated interactive infrastructure and database for computational science}, | ||
author={Pizzi, Giovanni and Cepellotti, Andrea and Sabatini, Riccardo and Marzari, Nicola and Kozinsky, Boris}, | ||
journal={Computational Materials Science}, | ||
volume={111}, | ||
pages={218--230}, | ||
year={2016}, | ||
publisher={Elsevier} | ||
} | ||
@article{mcdermott2021graph, | ||
title={A graph-based network for predicting chemical reaction pathways in solid-state materials synthesis}, | ||
author={McDermott, Matthew J and Dwaraknath, Shyam S and Persson, Kristin A}, | ||
journal={Nature communications}, | ||
volume={12}, | ||
number={1}, | ||
pages={3097}, | ||
year={2021}, | ||
publisher={Nature Publishing Group UK London} | ||
} | ||
@misc{wfacer, | ||
title = {WFacer}, | ||
year = {2023}, | ||
url = {https://github.com/CederGroupHub/WFacer} | ||
} | ||
@misc{nptools, | ||
title = {NanoParticleTools}, | ||
url = {https://github.com/BlauGroup/NanoParticleTools} | ||
} | ||
@article{fireworks, | ||
title={FireWorks: a dynamic workflow system designed for high-throughput applications}, | ||
author={Jain, Anubhav and Ong, Shyue Ping and Chen, Wei and Medasani, Bharat and Qu, Xiaohui and Kocher, Michael and Brafman, Miriam and Petretto, Guido and Rignanese, Gian-Marco and Hautier, Geoffroy and others}, | ||
journal={Concurrency and Computation: Practice and Experience}, | ||
volume={27}, | ||
number={17}, | ||
pages={5037--5059}, | ||
year={2015}, | ||
publisher={Wiley Online Library} | ||
} | ||
@article{da2023workflows, | ||
title={Workflows Community Summit 2022: A Roadmap Revolution}, | ||
author={da Silva, Rafael Ferreira and Badia, Rosa M and Bala, Venkat and Bard, Debbie and Bremer, Peer-Timo and Buckley, Ian and Caino-Lores, Silvina and Chard, Kyle and Goble, Carole and Jha, Shantenu and others}, | ||
journal={arXiv preprint arXiv:2304.00019}, | ||
year={2023} | ||
} | ||
@inproceedings{ben2020workflows, | ||
title={Workflows are the new applications: Challenges in performance, portability, and productivity}, | ||
author={Ben-Nun, Tal and Gamblin, Todd and Hollman, Daisy S and Krishnan, Hari and Newburn, Chris J}, | ||
booktitle={2020 IEEE/ACM International Workshop on Performance, Portability and Productivity in HPC (P3HPC)}, | ||
pages={57--69}, | ||
year={2020}, | ||
organization={IEEE} | ||
} | ||
@misc{wflowsystems, | ||
title={Existing Workflow Systems}, | ||
url={https://s.apache.org/existing-workflow-systems} | ||
} | ||
@inproceedings{al2021exaworks, | ||
title={Exaworks: Workflows for exascale}, | ||
author={Al-Saadi, Aymen and Ahn, Dong H and Babuji, Yadu and Chard, Kyle and Corbett, James and Hategan, Mihael and Herbein, Stephen and Jha, Shantenu and Laney, Daniel and Merzky, Andre and others}, | ||
booktitle={2021 IEEE Workshop on Workflows in Support of Large-Scale Science (WORKS)}, | ||
pages={50--57}, | ||
year={2021}, | ||
organization={IEEE} | ||
} | ||
@inproceedings{babuji2019parsl, | ||
title={Parsl: Pervasive parallel programming in python}, | ||
author={Babuji, Yadu and Woodard, Anna and Li, Zhuozhao and Katz, Daniel S and Clifford, Ben and Kumar, Rohan and Lacinski, Lukasz and Chard, Ryan and Wozniak, Justin M and Foster, Ian and others}, | ||
booktitle={Proceedings of the 28th International Symposium on High-Performance Parallel and Distributed Computing}, | ||
pages={25--36}, | ||
year={2019} | ||
} | ||
@misc{prefect, | ||
title={Prefect}, | ||
url={https://github.com/PrefectHQ/prefect} | ||
} | ||
@misc{redun, | ||
title={Redun}, | ||
url={https://github.com/insitro/redun} | ||
} | ||
@misc{covalent, | ||
title={Covalent}, | ||
doi={https://doi.org/10.5281/zenodo.5903364}, | ||
url={https://github.com/AgnostiqHQ/covalent} | ||
} | ||
@misc{maggma, | ||
title={Maggma}, | ||
url={https://github.com/materialsproject/maggma} | ||
} | ||
@misc{montydb, | ||
title={MontyDB}, | ||
url={https://github.com/davidlatwe/montydb} | ||
@misc{atomate2, | ||
title = {Atomate2}, | ||
url = {https://github.com/materialsproject/atomate2} | ||
} | ||
@misc{quacc, | ||
doi = {10.5281/zenodo.7720998}, | ||
title = {Quacc -- The Quantum Accelerator}, | ||
url = {https://github.com/Quantum-Accelerators/quacc} | ||
} | ||
@software{rxnnetwork, | ||
title = {Reaction Network}, | ||
url = {https://github.com/materialsproject/reaction-network} | ||
} | ||
@article{pizzi2016aiida, | ||
title={AiiDA: automated interactive infrastructure and database for computational science}, | ||
author={Pizzi, Giovanni and Cepellotti, Andrea and Sabatini, Riccardo and Marzari, Nicola and Kozinsky, Boris}, | ||
journal={Computational Materials Science}, | ||
volume={111}, | ||
pages={218--230}, | ||
year={2016}, | ||
publisher={Elsevier} | ||
} | ||
@article{mcdermott2021graph, | ||
title={A graph-based network for predicting chemical reaction pathways in solid-state materials synthesis}, | ||
author={McDermott, Matthew J and Dwaraknath, Shyam S and Persson, Kristin A}, | ||
journal={Nature communications}, | ||
volume={12}, | ||
number={1}, | ||
pages={3097}, | ||
year={2021}, | ||
publisher={Nature Publishing Group UK London} | ||
} | ||
@misc{wfacer, | ||
title = {WFacer}, | ||
year = {2023}, | ||
url = {https://github.com/CederGroupHub/WFacer} | ||
} | ||
@misc{nptools, | ||
title = {NanoParticleTools}, | ||
url = {https://github.com/BlauGroup/NanoParticleTools} | ||
} | ||
@article{fireworks, | ||
title={FireWorks: a dynamic workflow system designed for high-throughput applications}, | ||
author={Jain, Anubhav and Ong, Shyue Ping and Chen, Wei and Medasani, Bharat and Qu, Xiaohui and Kocher, Michael and Brafman, Miriam and Petretto, Guido and Rignanese, Gian-Marco and Hautier, Geoffroy and others}, | ||
journal={Concurrency and Computation: Practice and Experience}, | ||
volume={27}, | ||
number={17}, | ||
pages={5037--5059}, | ||
year={2015}, | ||
publisher={Wiley Online Library} | ||
} | ||
@article{da2023workflows, | ||
title={Workflows Community Summit 2022: A Roadmap Revolution}, | ||
author={da Silva, Rafael Ferreira and Badia, Rosa M and Bala, Venkat and Bard, Debbie and Bremer, Peer-Timo and Buckley, Ian and Caino-Lores, Silvina and Chard, Kyle and Goble, Carole and Jha, Shantenu and others}, | ||
journal={arXiv preprint arXiv:2304.00019}, | ||
year={2023} | ||
} | ||
@inproceedings{ben2020workflows, | ||
title={Workflows are the new applications: Challenges in performance, portability, and productivity}, | ||
author={Ben-Nun, Tal and Gamblin, Todd and Hollman, Daisy S and Krishnan, Hari and Newburn, Chris J}, | ||
booktitle={2020 IEEE/ACM International Workshop on Performance, Portability and Productivity in HPC (P3HPC)}, | ||
pages={57--69}, | ||
year={2020}, | ||
organization={IEEE} | ||
} | ||
@misc{wflowsystems, | ||
title={Existing Workflow Systems}, | ||
url={https://s.apache.org/existing-workflow-systems} | ||
} | ||
@inproceedings{al2021exaworks, | ||
title={Exaworks: Workflows for exascale}, | ||
author={Al-Saadi, Aymen and Ahn, Dong H and Babuji, Yadu and Chard, Kyle and Corbett, James and Hategan, Mihael and Herbein, Stephen and Jha, Shantenu and Laney, Daniel and Merzky, Andre and others}, | ||
booktitle={2021 IEEE Workshop on Workflows in Support of Large-Scale Science (WORKS)}, | ||
pages={50--57}, | ||
year={2021}, | ||
organization={IEEE} | ||
} | ||
@inproceedings{babuji2019parsl, | ||
title={Parsl: Pervasive parallel programming in python}, | ||
author={Babuji, Yadu and Woodard, Anna and Li, Zhuozhao and Katz, Daniel S and Clifford, Ben and Kumar, Rohan and Lacinski, Lukasz and Chard, Ryan and Wozniak, Justin M and Foster, Ian and others}, | ||
booktitle={Proceedings of the 28th International Symposium on High-Performance Parallel and Distributed Computing}, | ||
pages={25--36}, | ||
year={2019} | ||
} | ||
@misc{prefect, | ||
title={Prefect}, | ||
url={https://github.com/PrefectHQ/prefect} | ||
} | ||
@misc{redun, | ||
title={Redun}, | ||
url={https://github.com/insitro/redun} | ||
} | ||
@misc{covalent, | ||
title={Covalent}, | ||
doi={https://doi.org/10.5281/zenodo.5903364}, | ||
url={https://github.com/AgnostiqHQ/covalent} | ||
} | ||
@misc{maggma, | ||
title={Maggma}, | ||
url={https://github.com/materialsproject/maggma} | ||
} | ||
@misc{montydb, | ||
title={MontyDB}, | ||
url={https://github.com/davidlatwe/montydb} | ||
} |