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2020 – today
- 2020
[i1]Giulio Imbalzano, Yongbin Zhuang, Venkat Kapil, Kevin Rossi, Edgar A. Engel, Federico Grasselli, Michele Ceriotti:
Uncertainty estimation by committee models for molecular dynamics and thermodynamic averages. CoRR abs/2011.08828 (2020)
2010 – 2019
- 2019
- [j2]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:
i-PI 2.0: A universal force engine for advanced molecular simulations. Comput. Phys. Commun. 236: 214-223 (2019) - 2016
- [j1]Shalini Awasthi, Venkat Kapil, Nisanth N. Nair:
Sampling free energy surfaces as slices by combining umbrella sampling and metadynamics. J. Comput. Chem. 37(16): 1413-1424 (2016)
Coauthor Index
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