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Force field (chemistry)

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Force field (chemistry)

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Machine learning for metallurgy I. A neural-network potential for Al-Cu

Modelling long-range interactions in multiscale simulations of ferromagnetic materials

Accelerating materials discovery for solid state electrolytes

Incompleteness of Atomic Structure Representations

Machine learning for metallurgy II. A neural-network potential for magnesium

Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems

Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems

Hamiltonian-Reservoir Replica Exchange and Machine Learning Potentials for Computational Organic Chemistry

A proof of equivalence of two force methods for active structural control

Prediction of aqueous free energies of solvation using coupled QM and MM explicit solvent simulations

Modelling long-range interactions in multiscale simulations of ferromagnetic materials

Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems

Machine learning for metallurgy I. A neural-network potential for Al-Cu

Accelerating materials discovery for solid state electrolytes

Prediction of aqueous free energies of solvation using coupled QM and MM explicit solvent simulations

Incompleteness of Atomic Structure Representations

Machine learning for metallurgy II. A neural-network potential for magnesium

Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems

Hamiltonian-Reservoir Replica Exchange and Machine Learning Potentials for Computational Organic Chemistry

A proof of equivalence of two force methods for active structural control