AENET–LAMMPS and AENET–TINKER: Interfaces for accurate and efficient molecular dynamics simulations with machine learning potentials

MS Chen, T Morawietz, H Mori, TE Markland… - The Journal of …, 2021 - pubs.aip.org
Machine-learning potentials (MLPs) trained on data from quantum-mechanics based first-
principles methods can approach the accuracy of the reference method at a fraction of the …
被引用次数：23 相关文章

AENET-LAMMPS and AENET-TINKER: Interfaces for Accurate and Efficient Molecular Dynamics Simulations with Machine Learning Potentials

MS Chen, T Morawietz, H Mori, TE Markland… - arXiv preprint arXiv …, 2021 - arxiv.org
Machine learning potentials (MLPs) trained on data from quantum-mechanics based first-
principles methods can approach the accuracy of the reference method at a fraction of the …

AENET-LAMMPS and AENET-TINKER: Interfaces for Accurate and Efficient Molecular Dynamics Simulations with Machine Learning Potentials

MS Chen, T Morawietz, H Mori, TE Markland… - arXiv e …, 2021 - ui.adsabs.harvard.edu
Abstract Machine learning potentials (MLPs) trained on data from quantum-mechanics
based first-principles methods can approach the accuracy of the reference method at a …

AENET-LAMMPS and AENET-TINKER: Interfaces for accurate and efficient molecular dynamics simulations with machine learning potentials.

MS Chen, T Morawietz, H Mori… - The Journal of …, 2021 - europepmc.org
Machine-learning potentials (MLPs) trained on data from quantum-mechanics based first-
principles methods can approach the accuracy of the reference method at a fraction of the …
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[PDF][PDF] AENET-LAMMPS and AENET-TINKER: Interfaces for Accurate and Efficient Molecular Dynamics Simulations with Machine Learning Potentials

MS Chen, T Morawietz, H Mori, TE Markland, N Artrith - qiniu.pattern.swarma.org
Machine learning potentials (MLPs) trained on data from quantum-mechanics based first-
principles methods can approach the accuracy of the reference method at a fraction of the …

AENET–LAMMPS and AENET–TINKER: Interfaces for accurate and efficient molecular dynamics simulations with machine learning potentials

MS Chen, T Morawietz, H Mori, TE Markland… - The Journal of …, 2021 - pubs.aip.org
Machine-learning potentials (MLPs) trained on data from quantum-mechanics based first-
principles methods can approach the accuracy of the reference method at a fraction of the …

AENET-LAMMPS and AENET-TINKER: Interfaces for accurate and efficient molecular dynamics simulations with machine learning potentials

MS Chen, T Morawietz, H Mori… - The Journal of …, 2021 - pubmed.ncbi.nlm.nih.gov
Machine-learning potentials (MLPs) trained on data from quantum-mechanics based first-
principles methods can approach the accuracy of the reference method at a fraction of the …

AENET–LAMMPS and AENET–TINKER: Interfaces for accurate and efficient molecular dynamics simulations with machine learning potentials

MS Chen, T Morawietz, H Mori, TE Markland… - Journal of Chemical …, 2021 - osti.gov
Machine-learning potentials (MLPs) trained on data from quantum-mechanics based first-
principles methods can approach the accuracy of the reference method at a fraction of the …

AENET-LAMMPS and AENET-TINKER: Interfaces for accurate and efficient molecular dynamics simulations with machine learning potentials

MS Chen, T Morawietz, H Mori… - Journal of Chemical …, 2021 - ui.adsabs.harvard.edu
Abstract Machine-learning potentials (MLPs) trained on data from quantum-mechanics
based first-principles methods can approach the accuracy of the reference method at a …