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9 Results
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Workshop
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Eco-Comp: Towards Responsible Computing in Materials Science Sai S Lingampalli · El Tayeb Bentria · Fadwa El Mellouhi |
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Workshop
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Fri 14:40 |
EGraFFBench: Evaluation of Equivariant Graph Neural Network Force Fields for Atomistic Simulations Vaibhav Bihani · UTKARSH PRATIUSH · Sajid Mannan · Tao Du · Zhimin Chen · Santiago Miret · Matthieu Micoulaut · Morten Smedskjaer · Sayan Ranu · N M Anoop Krishnan |
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Poster
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Wed 15:00 |
Efficiently incorporating quintuple interactions into geometric deep learning force fields Zun Wang · Guoqing Liu · Yichi Zhou · Tong Wang · Bin Shao |
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Workshop
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Role of Structural and Conformational Diversity for Machine Learning Potentials Nikhil Shenoy · Prudencio Tossou · Emmanuel Noutahi · Hadrien Mary · Dominique Beaini · Jiarui Ding |
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Poster
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Thu 15:00 |
Benchmark of Machine Learning Force Fields for Semiconductor Simulations: Datasets, Metrics, and Comparative Analysis Geonu Kim · Byunggook Na · Gunhee Kim · Hyuntae Cho · Seungjin Kang · Hee Sun Lee · Saerom Choi · Heejae Kim · Seungwon Lee · Yongdeok Kim |
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Workshop
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Beyond MD17: The xxMD Dataset as a Chemically Meaningful Benchmark for Neural Force Fields Development Zihan Pengmei · Junyu Liu · Yinan Shu |
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Workshop
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Machine Learning Force Fields with Data Cost Aware Training Alexander Bukharin · Tianyi Liu · Shengjie Wang · Simiao Zuo · Weihao Gao · Wen Yan · Tuo Zhao |
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Workshop
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Fri 15:00 |
Learning Interatomic Potentials at Multiple Scales Xiang Fu · Albert Musaelian · Anders Johansson · Tommi Jaakkola · Boris Kozinsky |
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Workshop
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Fri 14:50 |
Machine learning force field ranking of candidate solid electrolyte interphase structures in Li-ion batteries James Stevenson |