Sampling free energy surfaces as slices by combining umbrella sampling and metadynamics. - Shalini Awasthi; Venkat Kapil; Nisanth N. Nair (J. Comput. Chem., 2016)

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; et al. (Comput. Phys. Commun., 2019)

Uncertainty estimation by committee models for molecular dynamics and thermodynamic averages. - Giulio Imbalzano; Yongbin Zhuang; Venkat Kapil; Kevin Rossi; Edgar A. Engel; Federico Grasselli; Michele Ceriotti (CoRR, 2020)