Frank C. Pickard

Capture of hydroxymethylene and its fast disappearance through tunnelling

Peter R. Schreiner, Hans Peter Reisenauer, Frank C. Pickard et al. · Nature · 2008 · 291 citations

Engineering, Tunneling Microscopy, Applied Physics +4

Machine Learning Force Field Parameters from Ab Initio Data

Ying Li, Hui Li, Frank C. Pickard et al. · Journal of Chemical Theory and Computation · 2017 · 142 citations · Full text

Predicting hydration free energies with a hybrid QM/MM approach: an evaluation of implicit and explicit solvation models in SAMPL4

Gerhard König, Frank C. Pickard, Ye Mei et al. · Journal of Computer-Aided Molecular Design · 2014 · 72 citations · Full text

Thermodynamic Modelling, Hydration Free Energies, Engineering +11

Mapping the Drude polarizable force field onto a multipole and induced dipole model

Jing Huang, Andrew C. Simmonett, Frank C. Pickard et al. · The Journal of Chemical Physics · 2017 · 65 citations · Full text

Molecular Solid, Engineering, Physics +15

Comparison of Additive and Polarizable Models with Explicit Treatment of Long-Range Lennard-Jones Interactions Using Alkane Simulations

Alison N. Leonard, Andrew C. Simmonett, Frank C. Pickard et al. · Journal of Chemical Theory and Computation · 2017 · 64 citations