검색결과 : 6건
| No. | Article |
|---|---|
| 1 |
Performance and Cost Assessment of Machine Learning Interatomic Potentials Zuo YX, Chen C, Li XG, Deng Z, Chen YM, Behler J, Csanyi G, Shapeev AV, Thompson AP, Wood MA, Ong SP Journal of Physical Chemistry A, 124(4), 731, 2020 |
| 2 |
Accurate Global Potential Energy Surfaces for the H + CH3OH Reaction by Neural Network Fitting with Permutation Invariance Lu DD, Behler J, Li J Journal of Physical Chemistry A, 124(28), 5737, 2020 |
| 3 |
Nuclear Quantum Effects in Sodium Hydroxide Solutions from Neural Network Molecular Dynamics Simulations Hellstrom M, Ceriotti M, Behler J Journal of Physical Chemistry B, 122(44), 10158, 2018 |
| 4 |
Proton-Transfer-Driven Water Exchange Mechanism in the Na+ Solvation Shell Hellstrom M, Behler J Journal of Physical Chemistry B, 121(16), 4184, 2017 |
| 5 |
Dynamical Heterogeneity in the Supercooled Liquid State of the Phase Change Material GeTe Sosso GC, Colombo J, Behler J, Del Gado E, Bernasconi M Journal of Physical Chemistry B, 118(47), 13621, 2014 |
| 6 |
Nucleation mechanism for the direct graphite-to-diamond phase transition Khaliullin RZ, Eshet H, Kuhne TD, Behler J, Parrinello M Nature Materials, 10(9), 693, 2011 |