Mark E. Tuckerman

Publication Activity (10 Years)

Years Active: 2004-2024
Publications (10 Years): 3

Top Topics

Sampling Methods

Top Venues

J. Comput. Chem.

Nat. Comput. Sci.

Publications

Michael Kilgour, Jutta Rogal, Mark E. Tuckerman
Multi-Type Point Cloud Autoencoder: A Complete Equivariant Embedding for Molecule Conformation and Pose. CoRR (2024)
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)
Mark E. Tuckerman
The curse of dimensionality loses its power. Nat. Comput. Sci. 2 (1) (2022)
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)