D Vale Cofer-Shabica

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 4

Top Topics

Electron Transfer

Low Birth Weight

Gestational Age

Staphylococcus Aureus

Top Venues

Journal of chemical theory and computation

The Journal of chemical physics

The journal of physical chemistry. A

Brown University (PHD)

This page only lists publications with an associated author ORCID identifier.

Education History

Brown University - May 30 2018

United States

PHD :: Chemistry

Publications

Alec J Coffman, Zuxin Jin, Junhan Chen, Joseph E Subotnik, D Vale Cofer-Shabica
Use of QM/MM Surface Hopping Simulations to Understand Thermally Activated Rare-Event Nonadiabatic Transitions in the Condensed Phase. Journal of chemical theory and computation (2023)
Maximilian F S J Menger, Qi Ou, Yihan Shao, Shirin Faraji, Joseph E Subotnik, D Vale Cofer-Shabica
Nature of Hops, Coordinates, and Detailed Balance for Nonadiabatic Simulations in the Condensed Phase. The journal of physical chemistry. A (2023)
D Vale Cofer-Shabica, Maximilian F S J Menger, Qi Ou, Yihan Shao, Joseph E Subotnik, Shirin Faraji
INAQS, a Generic Interface for Nonadiabatic QM/MM Dynamics: Design, Implementation, and Validation for GROMACS/Q-CHEM simulations. Journal of chemical theory and computation 18 (8) (2022)
D Vale Cofer-Shabica, Richard M Stratt
What is special about how roaming chemical reactions traverse their potential surfaces? Differences in geodesic paths between roaming and non-roaming events. The Journal of chemical physics 146 (21) (2018)