Boyi Zhang

PES-Learn: An Open-Source Software Package for the Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces

Adam S. Abbott, Justin M. Turney, Boyi Zhang et al. · Journal of Chemical Theory and Computation · 2019 · 77 citations

Engineering, Machine Learning Models, Computational Chemistry +16

A comparison between hydrogen and halogen bonding: the hypohalous acid–water dimers, HOX⋯H₂O (X = F, Cl, Br)

M.E. Wolf, Boyi Zhang, Justin M. Turney et al. · Physical Chemistry Chemical Physics · 2019 · 34 citations

Janus: An Extensible Open-Source Software Package for Adaptive QM/MM Methods

Boyi Zhang, Doaa Altarawy, Taylor Barnes et al. · Journal of Chemical Theory and Computation · 2019 · 16 citations

Engineering, Computational Chemistry, Qm Region +21

A Multireference Ab Initio Study of the Diradical Isomers of Pyrazine

Thais R. Scott, Reed Nieman, Adam Luxon et al. · The Journal of Physical Chemistry A · 2019 · 14 citations

Diradical Isomers, Engineering, Theoretical Inorganic Chemistry +18