activity
20132025
most citedDeep Potential Molecular Dynamics: a scalable model with the accuracy of quantum mechanics

2.3k citations · 9.6k across the 47 of their papers we have counts for

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Showing 2018Show all

5 papers · 1 filter

math.PR2018★ 139 cited

Convergence of the Deep BSDE Method for Coupled FBSDEs

Jiequn Han, Jihao Long

The recently proposed numerical algorithm, deep BSDE method, has shown remarkable performance in solving high-dimensional forward-backward stochastic differential equations (FBSDEs…

math.OC2018★ 72 cited

A Mean-Field Optimal Control Formulation of Deep Learning

Weinan E, Jiequn Han, Qianxiao Li

Recent work linking deep neural networks and dynamical systems opened up new avenues to analyze deep learning. In particular, it is observed that new insights can be obtained by re…

physics.comp-ph2018★ 217 cited

Solving Many-Electron Schrödinger Equation Using Deep Neural Networks

Jiequn Han, Linfeng Zhang, Weinan E

We introduce a new family of trial wave-functions based on deep neural networks to solve the many-electron Schrödinger equation. The Pauli exclusion principle is dealt with explici…

physics.comp-ph2018★ 157 cited

End-to-end Symmetry Preserving Inter-atomic Potential Energy Model for Finite and Extended Systems

Linfeng Zhang, Jiequn Han, Han Wang +3

Machine learning models are changing the paradigm of molecular modeling, which is a fundamental tool for material science, chemistry, and computational biology. Of particular inter…

physics.chem-ph2018★ 198 cited

DeePCG: constructing coarse-grained models via deep neural networks

Linfeng Zhang, Jiequn Han, Han Wang +2

We introduce a general framework for constructing coarse-grained potential models without ad hoc approximations such as limiting the potential to two- and/or three-body contributio…