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20242026

most citedAb Initio bulk free energy surface of proper ferroelectrics

2 citations · 2 across the 4 of their papers we have counts for

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cond-mat.mtrl-sci2024

Deep learning tight-binding approach for large-scale electronic simulations at finite temperatures with $ab$ $ini t i o$ accuracy

Qiangqiang Gu, Zhanghao Zhouyin, Shishir Kumar Pandey +3

Simulating electronic behavior in materials and devices with realistic large system sizes remains a formidable task within the $ab$ $ini t i o$ framework due to its computational inte…

physics.comp-ph2024

Ab Initio Generalized Langevin Equation

Pinchen Xie, Roberto Car, Weinan E

We introduce a machine learning-based approach called ab initio generalized Langevin equation (AIGLE) to model the dynamics of slow collective variables in materials and molecules.…

Deep learning tight-binding approach for large-scale electronic simulations at finite temperatures with ab initio accuracy

Ab Initio Generalized Langevin Equation

Deep learning tight-binding approach for large-scale electronic simulations at finite temperatures with $ab$ $ini t i o$ accuracy