Mark Tuckerman

37PUBLICATIONS
65CO-AUTHORS
Time series and spatial modellingFormal methods for softwareSemi- and unsupervised learningElectrical energy generation (incl. renewables, excl. photovoltaics)Biomolecular modelling and design
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Publications (37)

|May 15, 2026
A staging Monte Carlo algorithm for sampling off-diagonal density matrix elements via open-chain path integrals.

|Mar 24, 2026
MXtalTools: A Toolkit for Machine Learning on Molecular Crystals.

Michael Kilgour, Mark E Tuckerman, Jutta Rogal

|Dec 26, 2025
Automated Machine Learning Pipeline: Large Language Models-Assisted Automated Data set Generation for Training Machine-Learned Interatomic Potentials.

Adam Lahouari, Jutta Rogal, Mark E Tuckerman

|Oct 09, 2025
Machine learning-accelerated path integral molecular dynamics simulations of reactive organic electrolytes.

Michael S Chen, Alan Robledo, Christian Schäfer

|Aug 05, 2025
3D conformation and crystal interaction insights into drug development challenges for HCV drug analogues via molecular simulations.

Richard S Hong, Alessandra Mattei, Mark E Tuckerman

|Jun 05, 2025
Solute Tempered Adiabatic Free Energy Dynamics for Enhancing Conformational Space Sampling.

Shitanshu Bajpai, Charlles R A Abreu, Nisanth N Nair

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Frequent Collaborators

5 joint publications

Leslie Vogt-Maranto

4 joint publications

Tamar Zelovich

4 joint publications

Jutta Rogal

4 joint publications

Edward J Maginn