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09/01/2023
PolyGET: Accelerating Polymer Simulations by Accurate and Generalizable Forcefield with Equivariant Transformer
Polymer simulation with both accuracy and efficiency is a challenging ta...
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12/02/2022
Adaptive Exploration and Optimization of Materials Crystal Structures
A central problem of materials science is to determine whether a hypothe...
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10/28/2020
