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List of works by Mark E Tuckerman

Combining Iteration-Free Polarization with Large Time Step Stochastic-Isokinetic Integration

scientific article published on 20 March 2019

Deep Eutectic Solvents: A Review of Fundamentals and Applications

scientific article published on 14 December 2020

Finding Free Energy Landmarks of Chemical Reactions

scientific article published on 16 October 2018

Generating Cocrystal Polymorphs with Information Entropy Driven by Molecular Dynamics-Based Enhanced Sampling

scientific article published on 03 November 2020

Importance of a Fully Anharmonic Treatment of Equilibrium Isotope Fractionation Properties of Dissolved Ionic Species As Evidenced by Li+(aq).

scientific article published on 23 June 2017

Molecular Dynamics with Very Large Time Steps for the Calculation of Solvation Free Energies

scientific article published on 16 November 2020

Quantum chemical accuracy from density functional approximations via machine learning

scientific article published on 16 October 2020

Unified Efficient Thermostat Scheme for the Canonical Ensemble with Holonomic or Isokinetic Constraints via Molecular Dynamics

scientific article published on 05 July 2019

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