Christine M. Isborn

<scp>TeraChem</scp>: A graphical processing unit<scp>‐accelerated</scp> electronic structure package for <scp>large‐scale</scp> ab initio molecular dynamics

Stefan Seritan, Christoph Bannwarth, B. Scott Fales et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2020 · 310 citations · Full text

Natural Sciences, High-performance Computing, Physics +15

Excited-State Electronic Structure with Configuration Interaction Singles and Tamm–Dancoff Time-Dependent Density Functional Theory on Graphical Processing Units

Christine M. Isborn, Nathan Luehr, Ivan S. Ufimtsev et al. · Journal of Chemical Theory and Computation · 2011 · 226 citations · Full text

Natural Sciences, Chemistry, Physics +17

Rational Enhancement of Second-Order Nonlinearity: Bis-(4-methoxyphenyl)<i>hetero</i>-aryl-amino Donor-Based Chromophores: Design, Synthesis, and Electrooptic Activity

Joshua A. Davies, Arumugasamy Elangovan, Philip A. Sullivan et al. · Journal of the American Chemical Society · 2008 · 199 citations

Natural Sciences, Chemistry, Molecular Physics +14

Electronic Absorption Spectra from MM and <i>ab Initio</i> QM/MM Molecular Dynamics: Environmental Effects on the Absorption Spectrum of Photoactive Yellow Protein

Christine M. Isborn, Andreas W. Götz, Matthew Clark et al. · Journal of Chemical Theory and Computation · 2012 · 186 citations · Full text

Natural Sciences, Biophysics, Chemistry +17

Electron dynamics with real‐time time‐dependent density functional theory

Makenzie R. Provorse, Christine M. Isborn · International Journal of Quantum Chemistry · 2016 · 160 citations

Natural Sciences, Physics, Computational Chemistry +13