Molecular modeling by machine learning
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Cites work
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- Error bounds for approximations with deep ReLU networks
- Moment tensor potentials: a class of systematically improvable interatomic potentials
- Universal approximation bounds for superpositions of a sigmoidal function
Cited in
(18)- Prediction of molecular energy using deep tensor neural networks
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- Highly accurate machine learning model for kinetic energy density functional
- Proper orthogonal descriptors for efficient and accurate interatomic potentials
- Empirical potential energy functions used in the simulations of materials properties
- scientific article; zbMATH DE number 1795196 (Why is no real title available?)
- What machine learning can do for computational solid mechanics
- Approximation of correlation functions in phase-field crystal model by machine learning approach
- Neural networks-based variationally enhanced sampling
- Moment tensor potentials: a class of systematically improvable interatomic potentials
- MOLECULAR MODEL CHECKING
- FLAME: a library of atomistic modeling environments
- DP-GEN: a concurrent learning platform for the generation of reliable deep learning based potential energy models
- A Framework for a Generalization Analysis of Machine-Learned Interatomic Potentials
- Interatomic-potential-free, data-driven molecular dynamics
- QM/MM Methods for Crystalline Defects. Part 3: Machine-Learned MM Models
- A theoretical case study of the generalization of machine-learned potentials
- Atomic cluster expansion without self-interaction
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