Gianpaolo Gobbo

Proceedings of the SC15 Workshop on Producing High Performance and Sustainable Software for Molecular Simulation

Eric Darve, Jesús A. Izaguirre, Paolo Bientinesi, 2016 .

Interfacing novel integrators and existing Molecular Dynamics codes with the MIST library

Benedict Leimkuhler, Iain Bethune, Elena Breitmoser, 2015 .

MIST: A simple and efficient molecular dynamics abstraction library for integrator development

Iain Bethune, Benedict J. Leimkuhler, Charles Matthews, 2018, Comput. Phys. Commun..

A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Predictions: New Opportunities and Challenges for Drug Discovery

Zhixiong Lin, Mingjun Yang, Gianpaolo Gobbo, 2021, J. Chem. Inf. Model..

Correction to "A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Prediction: New Opportunities and Challenges for Drug Discovery"

Mingjun Yang, Gianpaolo Gobbo, Shuhao Wen, 2021, J. Chem. Inf. Model..

Extended Hamiltonian approach to continuous tempering.

Gianpaolo Gobbo, Benedict J Leimkuhler, 2015, Physical review. E, Statistical, nonlinear, and soft matter physics.

Nucleation of Molecular Crystals Driven by Relative Information Entropy.

Bernhardt L Trout, Giovanni Ciccotti, Gareth A Tribello, 2018, Journal of chemical theory and computation.