1.8k citations · 6.4k across the 42 of their papers we have counts for
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LAMBench: A Benchmark for Large Atomistic Models
Anyang Peng, Chun Cai, Mingyu Guo +9
Large Atomistic Models (LAMs) have undergone remarkable progress recently, emerging as universal or fundamental representations of the potential energy surface defined by the first…
Hybrid Auxiliary Field Quantum Monte Carlo for Molecular Systems
Yixiao Chen, Linfeng Zhang, Weinan E +1
We propose a quantum Monte Carlo approach to solve the ground state many-body Schrodinger equation for the electronic ground state. The method combines optimization from variationa…
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.…
Uniformly Accurate Machine Learning Based Hydrodynamic Models for Kinetic Equations
Jiequn Han, Chao Ma, Zheng Ma +1
A new framework is introduced for constructing interpretable and truly reliable reduced models for multiscale problems in situations without scale separation. Hydrodynamic approxim…
The Heterogeneous Multi-Scale Method
Weinan E, Bjorn Engquist
The heterogeneous multi-scale method (HMM) is a general strategy for dealing with problems involving multi-scales, with multi-physics, using multi-grids. It not only unifies severa…