Timothy C Berkelbach

39PUBLICATIONS
139CO-AUTHORS
Formal methods for softwareReaction kinetics and dynamicsStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterTransport properties and non-equilibrium processesTheoretical quantum chemistry
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Publications (39)

|Sep 10, 2026
The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project.

|Apr 16, 2026
Markov State Models for Tracking Reaction Dynamics on Catalytic Nanoparticles.

|Jan 08, 2026
Size-Consistent Adiabatic Connection Functionals via Orbital-Based Matrix Interpolation.

Kyle Bystrom, Timothy C Berkelbach

|Mar 21, 2025
Diabatic States of Charge Transfer with Constrained Charge Equilibration.

Sohang Kundu, Hong-Zhou Ye, Timothy C Berkelbach

|Mar 05, 2025
Efficient Implementation of the Random Phase Approximation with Domain-Based Local Pair Natural Orbitals.

Yu Hsuan Liang, Xing Zhang, Garnet Kin-Lic Chan

|Feb 21, 2025
Ab initio quantum many-body description of superconducting trends in the cuprates.

Zhi-Hao Cui, Junjie Yang, Johannes Tölle

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Frequent Collaborators

14 joint publications

Hong-Zhou Ye

5 joint publications

Xiao Wang

4 joint publications

Samuel M Greene

3 joint publications

Verena A Neufeld