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Mark E Tuckerman
Mark E Tuckerman
Verified email at nyu.edu
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Cited by
Cited by
Year
Nosé–Hoover chains: The canonical ensemble via continuous dynamics
GJ Martyna, ML Klein, M Tuckerman
The Journal of chemical physics 97 (4), 2635-2643, 1992
43311992
Reversible multiple time scale molecular dynamics
M Tuckerman, BJ Berne, GJ Martyna
The Journal of chemical physics 97 (3), 1990-2001, 1992
38241992
Explicit reversible integrators for extended systems dynamics
GJ Martyna, ME Tuckerman, DJ Tobias, ML Klein
Molecular Physics 87 (5), 1117-1157, 1996
19401996
The nature of the hydrated excess proton in water
D Marx, ME Tuckerman, J Hutter, M Parrinello
Nature 397 (6720), 601-604, 1999
18271999
Statistical mechanics: theory and molecular simulation
M Tuckerman
Oxford university press, 2010
13592010
The nature and transport mechanism of hydrated hydroxide ions in aqueous solution
ME Tuckerman, D Marx, M Parrinello
Nature 417 (6892), 925-929, 2002
9522002
Ab initio molecular dynamics simulation of the solvation and transport of hydronium and hydroxyl ions in water
M Tuckerman, K Laasonen, M Sprik, M Parrinello
The Journal of chemical physics 103 (1), 150-161, 1995
9381995
On the quantum nature of the shared proton in hydrogen bonds
ME Tuckerman, D Marx, ML Klein, M Parrinello
Science 275 (5301), 817-820, 1997
8121997
A reciprocal space based method for treating long range interactions in ab initio and force-field-based calculations in clusters
GJ Martyna, ME Tuckerman
The Journal of chemical physics 110 (6), 2810-2821, 1999
7011999
Ab initio molecular dynamics simulation of the solvation and transport of H3O+ and OH-ions in water
M Tuckerman, K Laasonen, M Sprik, M Parrinello
The Journal of Physical Chemistry 99 (16), 5749-5752, 1995
6831995
Deep eutectic solvents: A review of fundamentals and applications
BB Hansen, S Spittle, B Chen, D Poe, Y Zhang, JM Klein, A Horton, ...
Chemical reviews 121 (3), 1232-1285, 2020
6212020
Bypassing the Kohn-Sham equations with machine learning
F Brockherde, L Vogt, L Li, ME Tuckerman, K Burke, KR Müller
Nature communications 8 (1), 1-10, 2017
5652017
A Liouville-operator derived measure-preserving integrator for molecular dynamics simulations in the isothermal–isobaric ensemble
ME Tuckerman, J Alejandre, R López-Rendón, AL Jochim, GJ Martyna
Journal of Physics A: Mathematical and General 39 (19), 5629, 2006
5372006
Efficient molecular dynamics and hybrid Monte Carlo algorithms for path integrals
ME Tuckerman, BJ Berne, GJ Martyna, ML Klein
The Journal of Chemical Physics 99 (4), 2796-2808, 1993
5281993
Understanding modern molecular dynamics: Techniques and applications
ME Tuckerman, GJ Martyna
The Journal of Physical Chemistry B 104 (2), 159-178, 2000
4942000
Report on the sixth blind test of organic crystal structure prediction methods
AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ...
Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016
4692016
Aqueous basic solutions: hydroxide solvation, structural diffusion, and comparison to the hydrated proton
D Marx, A Chandra, ME Tuckerman
Chemical reviews 110 (4), 2174-2216, 2010
4502010
The mechanism of proton conduction in phosphoric acid
L Vilčiauskas, ME Tuckerman, G Bester, SJ Paddison, KD Kreuer
Nature chemistry 4 (6), 461-466, 2012
4092012
Ab initio molecular dynamics: basic concepts, current trends and novel applications
ME Tuckerman
Journal of Physics: Condensed Matter 14 (50), R1297, 2002
3852002
Efficient and general algorithms for path integral Car–Parrinello molecular dynamics
ME Tuckerman, D Marx, ML Klein, M Parrinello
The Journal of chemical physics 104 (14), 5579-5588, 1996
3631996
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