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BibTeX records: Sotiris S. Xantheas
@article{DBLP:journals/jcisd/HelalFBSHKMRKLDXC24, author = {Hatem Helal and Jesun Firoz and Jenna A. Bilbrey and Henry Sprueill and Kristina M. Herman and Mario Michael Krell and Tom Murray and Manuel Lopez Roldan and Mike Kraus and Ang Li and Payel Das and Sotiris S. Xantheas and Sutanay Choudhury}, title = {Acceleration of Graph Neural Network-Based Prediction Models in Chemistry via Co-Design Optimization on Intelligence Processing Units}, journal = {J. Chem. Inf. Model.}, volume = {64}, number = {5}, pages = {1568--1580}, year = {2024}, url = {https://doi.org/10.1021/acs.jcim.3c01312}, doi = {10.1021/ACS.JCIM.3C01312}, timestamp = {Mon, 01 Apr 2024 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcisd/HelalFBSHKMRKLDXC24.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/corr/abs-2211-04598, author = {Jenna A. Bilbrey and Kristina M. Herman and Henry Sprueill and Sotiris S. Xantheas and Payel Das and Manuel Lopez Roldan and Mike Kraus and Hatem Helal and Sutanay Choudhury}, title = {Reducing Down(stream)time: Pretraining Molecular GNNs using Heterogeneous {AI} Accelerators}, journal = {CoRR}, volume = {abs/2211.04598}, year = {2022}, url = {https://doi.org/10.48550/arXiv.2211.04598}, doi = {10.48550/ARXIV.2211.04598}, eprinttype = {arXiv}, eprint = {2211.04598}, timestamp = {Tue, 15 Nov 2022 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/corr/abs-2211-04598.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/corr/abs-2211-13853, author = {Hatem Helal and Jesun Firoz and Jenna A. Bilbrey and Mario Michael Krell and Tom Murray and Ang Li and Sotiris S. Xantheas and Sutanay Choudhury}, title = {Extreme Acceleration of Graph Neural Network-based Prediction Models for Quantum Chemistry}, journal = {CoRR}, volume = {abs/2211.13853}, year = {2022}, url = {https://doi.org/10.48550/arXiv.2211.13853}, doi = {10.48550/ARXIV.2211.13853}, eprinttype = {arXiv}, eprint = {2211.13853}, timestamp = {Mon, 05 Feb 2024 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/corr/abs-2211-13853.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/ijhpca/AlexanderABBCCC21, author = {Francis J. Alexander and James A. Ang and Jenna A. Bilbrey and Jan Balewski and Tiernan Casey and Ryan Chard and Jong Choi and Sutanay Choudhury and Bert J. Debusschere and Anthony M. DeGennaro and Nikoli Dryden and J. Austin Ellis and Ian T. Foster and Cristina Garcia{-}Cardona and Sayan Ghosh and Peter Harrington and Yunzhi Huang and Shantenu Jha and Travis Johnston and Ai Kagawa and Ramakrishnan Kannan and Neeraj Kumar and Zhengchun Liu and Naoya Maruyama and Satoshi Matsuoka and Erin McCarthy and Jamaludin Mohd{-}Yusof and Peter Nugent and Yosuke Oyama and Thomas Proffen and David Pugmire and Sivasankaran Rajamanickam and Vinay Ramakrishnaiah and Malachi Schram and Sudip K. Seal and Ganesh Sivaraman and Christine Sweeney and Li Tan and Rajeev Thakur and Brian Van Essen and Logan T. Ward and Paul M. Welch and Michael Wolf and Sotiris S. Xantheas and Kevin G. Yager and Shinjae Yoo and Byung{-}Jun Yoon}, title = {Co-design Center for Exascale Machine Learning Technologies (ExaLearn)}, journal = {Int. J. High Perform. Comput. Appl.}, volume = {35}, number = {6}, pages = {598--616}, year = {2021}, url = {https://doi.org/10.1177/10943420211029302}, doi = {10.1177/10943420211029302}, timestamp = {Sun, 04 Aug 2024 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/ijhpca/AlexanderABBCCC21.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcc/BrabecBKXLV21, author = {Jiri Brabec and Jan Brandejs and Karol Kowalski and Sotiris S. Xantheas and {\"{O}}rs Legeza and Libor Veis}, title = {Massively parallel quantum chemical density matrix renormalization group method}, journal = {J. Comput. Chem.}, volume = {42}, number = {8}, pages = {534--544}, year = {2021}, url = {https://doi.org/10.1002/jcc.26476}, doi = {10.1002/JCC.26476}, timestamp = {Tue, 01 Jun 2021 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcc/BrabecBKXLV21.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/corr/abs-2012-00131, author = {Sutanay Choudhury and Jenna A. Bilbrey and Logan T. Ward and Sotiris S. Xantheas and Ian T. Foster and Joseph P. Heindel and Ben Blaiszik and Marcus E. Schwarting}, title = {HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data}, journal = {CoRR}, volume = {abs/2012.00131}, year = {2020}, url = {https://arxiv.org/abs/2012.00131}, eprinttype = {arXiv}, eprint = {2012.00131}, timestamp = {Fri, 04 Dec 2020 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/corr/abs-2012-00131.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/sensors/KusakaIXE10, author = {Ryoji Kusaka and Yoshiya Inokuchi and Sotiris S. Xantheas and Takayuki Ebata}, title = {Structures and Encapsulation Motifs of Functional Molecules Probed by Laser Spectroscopic and Theoretical Methods}, journal = {Sensors}, volume = {10}, number = {4}, pages = {3519--3548}, year = {2010}, url = {https://doi.org/10.3390/s100403519}, doi = {10.3390/S100403519}, timestamp = {Fri, 30 Nov 2018 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/sensors/KusakaIXE10.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@inproceedings{DBLP:conf/sc/ApraRHTdX09, author = {Edoardo Apr{\`{a}} and Alistair P. Rendell and Robert J. Harrison and Vinod Tipparaju and Wibe A. de Jong and Sotiris S. Xantheas}, title = {Liquid water: obtaining the right answer for the right reasons}, booktitle = {Proceedings of the {ACM/IEEE} Conference on High Performance Computing, {SC} 2009, November 14-20, 2009, Portland, Oregon, {USA}}, publisher = {{ACM}}, year = {2009}, url = {https://doi.org/10.1145/1654059.1654127}, doi = {10.1145/1654059.1654127}, timestamp = {Tue, 01 Jun 2021 01:00:00 +0200}, biburl = {https://dblp.org/rec/conf/sc/ApraRHTdX09.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
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