Thomas Spura

According to our database, Thomas Spura authored at least 2 papers between 2016 and 2019.

Collaborative distances:

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

2019

i-PI 2.0: A universal force engine for advanced molecular simulations.

Venkat Kapil, Mariana Rossi, Ondrej Marsalek, Riccardo Petraglia, Yair Litman, Thomas Spura, Bingqing Cheng, Alice Cuzzocrea, Robert H. Meißner, David M. Wilkins, Benjamin A. Helfrecht, Przemyslaw Juda, Sébastien P. Bienvenue, Wei Fang, Jan Kessler, Igor Poltavsky, Steven Vandenbrande, Jelle Wieme, Michele Ceriotti

Comput. Phys. Commun., 2019

2016

Assessing the accuracy of improved force-matched water models derived from <i>Ab initio</i> molecular dynamics simulations.

Andreas Köster, Thomas Spura, Gábor Rutkai, Jan Kessler, Hendrik Wiebeler, Jadran Vrabec, Thomas D. Kühne

J. Comput. Chem., 2016