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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}
}

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