David M Wilkins

David M Wilkins

Queen's University Belfast - Belfast / United Kingdom
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 1368141
person_outline David M Wilkins's MOST POPULAR ARTICLES
1-) Gaussian process regression for materials and moleculesVL Deringer, AP Bartók, N Bernstein, DM Wilkins, M Ceriotti, G CsányiChemical Reviews 121 (16), 10073-10141, 20212042021
2-) i-PI 2.0: A universal force engine for advanced molecular simulationsV Kapil, M Rossi, O Marsalek, R Petraglia, Y Litman, T Spura, B Cheng, ...Computer Physics Communications 236, 214-223, 20192292019
3-) Symmetry-adapted machine learning for tensorial properties of atomistic systemsA Grisafi, DM Wilkins, G Csányi, M CeriottiPhysical review letters 120 (3), 036002, 20182292018
4-) Transferable machine-learning model of the electron densityA Grisafi, A Fabrizio, B Meyer, DM Wilkins, C Corminboeuf, M CeriottiACS central science 5 (1), 57-64, 20182642018
5-) Electrolytes induce long-range orientational order and free energy changes in the H-bond network of bulk waterY Chen, HI Okur, N Gomopoulos, C Macias-Romero, PS Cremer, ...Science advances 2 (4), e1501891, 20162002016