Kipton Barros

Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learning

Justin S. Smith, Benjamin Nebgen, R.I. Zubatyuk et al. · Nature Communications · 2019 · 634 citations · Full text

Solving lattice QCD systems of equations using mixed precision solvers on GPUs

M. A. Clark, Ronald Babich, Kipton Barros et al. · Computer Physics Communications · 2010 · 525 citations · Full text

Numerical Analysis, Numerical Computation, Engineering +11

Extending the Applicability of the ANI Deep Learning Molecular Potential to Sulfur and Halogens

Christian Devereux, Justin S. Smith, Kate Huddleston et al. · Journal of Chemical Theory and Computation · 2020 · 376 citations · Full text

The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for molecules

Justin S. Smith, R.I. Zubatyuk, Benjamin Nebgen et al. · Scientific Data · 2020 · 260 citations · Full text

Discovering a Transferable Charge Assignment Model Using Machine Learning

Andrew E. Sifain, Nicholas Lubbers, Benjamin Nebgen et al. · The Journal of Physical Chemistry Letters · 2018 · 137 citations · Full text

Mathematical Programming, Engineering, Machine Learning +20