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13 Results
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Workshop
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Fri 14:30 |
Crystal-GFN: sampling materials with desirable properties and constraints Mistal · Alex Hernandez-Garcia · Alexandra Volokhova · ALEXANDRE DUVAL · Yoshua Bengio · Divya Sharma · Pierre Luc Carrier · Michał Koziarski · Victor Schmidt |
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Workshop
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Fri 7:40 |
MatSciML: A Broad, Multi-Task Benchmark for Solid-State Materials Modeling Kin Long Kelvin Lee · Carmelo Gonzales · Marcel Nassar · Matthew Spellings · Michael Galkin · Santiago Miret |
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Learning Conditional Policies for Crystal Design Using Offline Reinforcement Learning Prashant Govindarajan · Santiago Miret · Jarrid Rector-Brooks · Mariano Phielipp · Janarthanan Rajendran · Sarath Chandar |
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Workshop
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Automated Diffraction Pattern Analysis for Identifying Crystal Systems Using Multiview Opinion Fusion Machine Learning Jie Chen · Hengrui Zhang · Carolin Wahl · Wei Liu · Chad Mirkin · Vinayak Dravid · Daniel Apley · Wei Chen |
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Workshop
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Deep inverse design of hydrophobic patches on DNA origami for mesoscale assembly of superlattices Po-An Lin · Simiao Ren · Jonathan Piland · Leslie Collins · Stefan Zauscher · Yonggang Ke · Gaurav Arya |
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Predicting Adsorption Energies for Catalyst Screening with Transfer Learning Using Crystal Hamiltonian Graph Neural Network Angelina Chen · Hui Zheng · Paula Harder |
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Hierarchical GFlowNet for Crystal Structure Generation Tri Nguyen · Sherif Abdulkader Tawfik Abbas · Truyen Tran · Sunil Gupta · Santu Rana · Svetha Venkatesh |
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Latent Conservative Objective Models for Data-Driven Crystal Structure Prediction Han Qi · Stefano Rando · XINYANG GENG · Iku Ohama · Aviral Kumar · Sergey Levine |
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Mapping the intermolecular interaction universe through self-supervised learning on molecular crystals Ada Fang · ZAIXI ZHANG · Marinka Zitnik |
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Workshop
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Stoichiometry Representation Learning with Polymorphic Crystal Structures Namkyeong Lee · Heewoong Noh · Gyoung S. Na · Tianfan Fu · Jimeng Sun · Chanyoung Park |
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Workshop
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Sat 11:30 |
Tim Rolff (Universität Hamburg) - Gazing into the Crystal Ball: Predicting Future Gaze Events in Virtual Reality |
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Workshop
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Connectivity Optimized Nested Line Graph Networks for Crystal Structures Robin Ruff · Patrick Reiser · Jan Stühmer · Pascal Friederich |