Antons Treikalis

Characterization of the three-dimensional free energy manifold for the uracil ribonucleoside from asynchronous replica exchange simulations.

Shantenu Jha, Melissa Romanus, Tai-Sung Lee, 2015, Journal of chemical theory and computation.

Bigger, Better BigJob - Pilot-Job frameworks for large scale simulations

Antons Treikalis, Antons Treikalis, 2013 .

Ensemble Toolkit: Scalable and Flexible Execution of Ensembles of Tasks

Shantenu Jha, Ole Weidner, Antons Treikalis, 2016, 2016 45th International Conference on Parallel Processing (ICPP).

A framework for replica exchange simulations

Antons Treikalis, Antons Treikalis, 2017 .

RepEx: A Flexible Framework for Scalable Replica Exchange Molecular Dynamics Simulations

Shantenu Jha, André Merzky, Darrin M. York, 2016, 2016 45th International Conference on Parallel Processing (ICPP).

EnsembleMD Toolkit: Scalable and Flexible Execution of Ensembles of Molecular Simulations pdf

Shantenu Jha, Ole Weidner, Antons Treikalis, 2016, ArXiv.