Keiran C Thompson (Keiran Thompson)

Publication Activity (10 Years)

Years Active: 2020-2023
Publications (10 Years): 5

Top Topics

Molecular Dynamics Simulations

Top Venues

Chemical science

Journal of chemical information and modeling

Journal of chemical theory and computation

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

Publications

Soren Holm, Pablo A Unzueta, Keiran C Thompson, Todd J Martinez
Single-Point Extrapolation to the Complete Basis Set Limit through Deep Learning. Journal of chemical theory and computation (2023)
Rui Xu, Jan Meisner, Alexander M Chang, Keiran C Thompson, Todd J Martinez
First principles reaction discovery: from the Schrodinger equation to experimental prediction for methane pyrolysis. Chemical science 14 (27) (2023)
Elisa Pieri, Dean Lahana, Alexander M Chang, Cody R Aldaz, Keiran C Thompson, Todd J Martinez
The non-adiabatic nanoreactor: towards the automated discovery of photochemistry. Chemical science 12 (21) (2021)
Hayley Weir, Keiran C Thompson, Amelia Woodward, Benjamin Choi, Augustin Braun, Todd J Martinez
ChemPix: automated recognition of hand-drawn hydrocarbon structures using deep learning. Chemical science 12 (31) (2021)
Stefan Seritan, Keiran C Thompson, Todd J Martinez
TeraChem Cloud: A High-Performance Computing Service for Scalable Distributed GPU-Accelerated Electronic Structure Calculations. Journal of chemical information and modeling 60 (4) (2020)