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Mark E. Tuckerman
Publication Activity (10 Years)
Years Active: 2004-2023
Publications (10 Years): 1
Top Topics
Sampling Methods
Phase Space
Ordinary Differential Equations
Top Venues
J. Comput. Chem.
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Publications
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Shitanshu Bajpai
,
Brian K. Petkov
,
Muchen Tong
,
Charlles R. A. Abreu
,
Nisanth N. Nair
,
Mark E. Tuckerman
An interoperable implementation of collective-variable based enhanced sampling methods in extended phase space within the OpenMM package.
J. Comput. Chem.
44 (28) (2023)
Eric J. Bohm
,
Abhinav Bhatele
,
Laxmikant V. Kalé
,
Mark E. Tuckerman
,
Sameer Kumar
,
John A. Gunnels
,
Glenn J. Martyna
Fine-grained parallelization of the Car - Parrinello ab initio molecular dynamics method on the IBM Blue Gene/L supercomputer.
IBM J. Res. Dev.
52 (1-2) (2008)
Peter Minary
,
Mark E. Tuckerman
,
Glenn J. Martyna
Dynamical Spatial Warping: A Novel Method for the Conformational Sampling of Biophysical Structure.
SIAM J. Sci. Comput.
30 (4) (2008)
Ramkumar V. Vadali
,
Yan Shi
,
Sameer Kumar
,
Laxmikant V. Kalé
,
Mark E. Tuckerman
,
Glenn J. Martyna
Scalable fine-grained parallelization of plane-wave-based ab initio molecular dynamics for large supercomputers.
J. Comput. Chem.
25 (16) (2004)