Mark E. Tuckerman

According to our database, Mark E. Tuckerman authored at least 9 papers between 2004 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

On the design space between molecular mechanics and machine learning force fields.

Yuanqing Wang, Kenichiro Takaba, Michael S. Chen, Marcus Wieder, Yuzhi Xu, Tong Zhu, John Z. H. Zhang, Arnav Nagle, Kuang Yu, Xinyan Wang, Daniel J. Cole, Joshua A. Rackers, Kyunghyun Cho, Joe G. Greener, Peter K. Eastman, Stefano Martiniani, Mark E. Tuckerman

CoRR, 2024

Multi-Type Point Cloud Autoencoder: A Complete Equivariant Embedding for Molecule Conformation and Pose.

Michael Kilgour, Jutta Rogal, Mark E. Tuckerman

CoRR, 2024

2023

An interoperable implementation of collective-variable based enhanced sampling methods in extended phase space within the OpenMM package.

Shitanshu Bajpai, Brian K. Petkov, Muchen Tong, Charlles R. A. Abreu, Nisanth N. Nair, Mark E. Tuckerman

J. Comput. Chem., 2023

Geometric Deep Learning for Molecular Crystal Structure Prediction.

Michael Kilgour, Jutta Rogal, Mark E. Tuckerman

CoRR, 2023

2022

The curse of dimensionality loses its power.

Mark E. Tuckerman

Nat. Comput. Sci., 2022

2011

Car-Parrinello Method.

Mark E. Tuckerman, Eric J. Bohm, Laxmikant V. Kalé, Glenn J. Martyna

Proceedings of the Encyclopedia of Parallel Computing, 2011

2008

Dynamical Spatial Warping: A Novel Method for the Conformational Sampling of Biophysical Structure.

Peter Minary, Mark E. Tuckerman, Glenn J. Martyna

SIAM J. Sci. Comput., 2008

Fine-grained parallelization of the Car - Parrinello ab initio molecular dynamics method on the IBM Blue Gene/L supercomputer.

Eric J. Bohm, Abhinav Bhatele, Laxmikant V. Kalé, Mark E. Tuckerman, Sameer Kumar, John A. Gunnels, Glenn J. Martyna

IBM J. Res. Dev., 2008

2004

Scalable fine-grained parallelization of plane-wave-based ab initio molecular dynamics for large supercomputers.

Ramkumar V. Vadali, Yan Shi, Sameer Kumar, Laxmikant V. Kalé, Mark E. Tuckerman, Glenn J. Martyna

J. Comput. Chem., 2004