James R. Kermode

The atomic simulation environment—a Python library for working with atoms

Ask Hjorth Larsen, Jens Jørgen Mortensen, Jakob Blomqvist et al. · Journal of Physics Condensed Matter · 2017 · 4.3K citations · Full text

Engineering, Material Simulation, Simulation +19

Machine learning unifies the modeling of materials and molecules

Albert P. Bartók, Sandip De, Carl Poelking et al. · Science Advances · 2017 · 748 citations · Full text

Molecular Dynamics with On-the-Fly Machine Learning of Quantum-Mechanical Forces

Zhenwei Li, James R. Kermode, Alessandro De Vita · Physical Review Letters · 2015 · 632 citations · Full text

Engineering, Physics, Physic Aware Machine Learning +13

Machine Learning a General-Purpose Interatomic Potential for Silicon

Albert P. Bartók, James R. Kermode, Noam Bernstein et al. · Physical Review X · 2018 · 456 citations · Full text

Low-speed fracture instabilities in a brittle crystal

James R. Kermode, Tristan Albaret, Dov Sherman et al. · Nature · 2008 · 223 citations

Materials Science, Low-speed Fracture Instabilities, Engineering +8