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The Journal of Chemical Physics|July 23, 2004
Army ants algorithm for rare event sampling of delocalized nonadiabatic transitions by trajectory surface hopping and the estimation of sampling errors by the bootstrap methodShikha Nangia, Ahren W Jasper, Thomas F Miller, et al.
The Journal of Chemical Physics|April 3, 2021
Analytical gradients for molecular-orbital-based machine learningSebastian J R Lee, Tamara Husch, Feizhi Ding, et al.
The Journal of Chemical Physics|September 7, 2010
Exact nonadditive kinetic potentials for embedded density functional theoryJason D Goodpaster, Nandini Ananth, Frederick R Manby, et al.
Annual Review of Physical Chemistry|January 10, 2013
Ring-polymer molecular dynamics: quantum effects in chemical dynamics from classical trajectories in an extended phase spaceScott Habershon, David E Manolopoulos, Thomas E Markland, et al.
The Journal of Chemical Physics|July 17, 2015
Accelerating wavefunction in density-functional-theory embedding by truncating the active basis setSimon J Bennie, Martina Stella, Thomas F Miller, et al.
Journal of the American Academy of Child and Adolescent Psychiatry|August 17, 2024
Do Ethnic Identity, Familial, and Community Contexts Impact the Association Between Adverse Childhood Experiences and Psychopathology Among Latinx Adolescents?Antonio R Garcia, Sheila Barnhart, Daniel Jacobson López, et al.
The Journal of Chemical Physics|January 15, 2021
A generalized class of strongly stable and dimension-free T-RPMD integratorsJorge L Rosa-Raíces, Jiace Sun, Nawaf Bou-Rabee, et al.
Seminars in Fetal & Neonatal Medicine|April 26, 2022
Using real-world data in pediatric clinical trials: Lessons learned and future applications in studies of persistent pulmonary hypertension of the newbornThomas F Miller, Andreas Kaiser, Thomas Schmelter, et al.
The Journal of Physical Chemistry. A|July 23, 2019
Interpretation of the THz-THz-Raman Spectrum of BromoformIoan B Magdău, Griffin J Mead, Geoffrey A Blake, et al.
The Journal of Chemical Physics|December 20, 2012
Density functional theory embedding for correlated wavefunctions: improved methods for open-shell systems and transition metal complexesJason D Goodpaster, Taylor A Barnes, Frederick R Manby, et al.
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