Mark Tuckerman

Affiliations: 
New York University, New York, NY, United States 
Website:
https://files.nyu.edu/mt33/public/
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SNBCP

Children

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Zhongwei Zhu grad student 2002 NYU
Lula Rosso grad student 2004 NYU
Peter Minary grad student 2005 NYU
Jerry B. Abrams grad student 2008 NYU
Alejandro Perez Paz grad student 2010 NYU
Tang-Qing Yu grad student 2012 NYU
Alexandar Tzanov grad student 2014 NYU
Yanli Zhang grad student 2014 NYU
Ondrej Marsalek post-doc NYU
O. Anatole von Lilienfeld-Toal post-doc 2005-2007 NYU

Collaborators

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Robert Q. Topper collaborator 2017- NYU
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Publications

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Zhang Z, Liu X, Yan K, et al. (2019) A Unified Efficient Thermostat Schemefor the Canonical Ensemblewith Holonomic or Isokinetic Constraints via Molecular Dynamics. The Journal of Physical Chemistry. A
Cuendet MA, Margul DT, Schneider E, et al. (2018) Endpoint-restricted adiabatic free energy dynamics approach for the exploration of biomolecular conformational equilibria. The Journal of Chemical Physics. 149: 072316
Cendagorta JR, Bačić Z, Tuckerman ME. (2018) An open-chain imaginary-time path-integral sampling approach to the calculation of approximate symmetrized quantum time correlation functions. The Journal of Chemical Physics. 148: 102340
Chen PY, Tuckerman ME. (2018) Molecular dynamics based enhanced sampling of collective variables with very large time steps. The Journal of Chemical Physics. 148: 024106
Schneider E, Dai L, Topper RQ, et al. (2017) Stochastic Neural Network Approach for Learning High-Dimensional Free Energy Surfaces. Physical Review Letters. 119: 150601
Shtukenberg AG, Zhu Q, Carter DJ, et al. (2017) Powder diffraction and crystal structure prediction identify four new coumarin polymorphs. Chemical Science. 8: 4926-4940
Dupuis R, Benoit M, Tuckerman ME, et al. (2017) Importance of a Fully Anharmonic Treatment of Equilibrium Isotope Fractionation Properties of Dissolved Ionic Species As Evidenced by Li(+)(aq). Accounts of Chemical Research
Cendagorta JR, Powers A, Hele TJ, et al. (2016) Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydrates. Physical Chemistry Chemical Physics : Pccp
Albaugh A, Boateng HA, Bradshaw RT, et al. (2016) Advanced Potential Energy Surfaces for Molecular Simulation. The Journal of Physical Chemistry. B
Schneider E, Vogt L, Tuckerman ME. (2016) Exploring polymorphism of benzene and naphthalene with free energy based enhanced molecular dynamics. Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials. 72: 542-50
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