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Raffaello Potestio

6PUBLICATIONS

5CO-AUTHORS

Theory and design of materialsComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Chemical thermodynamics and energeticsMathematical aspects of classical mechanics, quantum mechanics and quantum information theory

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Publications (6)

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|Sep 23, 2021

Protein self-entanglement modulates successful folding to the native state: A multi-scale modeling study.

Lorenzo Federico Signorini, Claudio Perego, Raffaello Potestio

|Mar 09, 2021

Open-boundary Hamiltonian adaptive resolution. From grand canonical to non-equilibrium molecular dynamics simulations.

Maziar Heidari, Kurt Kremer, Ramin Golestanian

|Oct 17, 2019

Steering a solute between coexisting solvation states: Revisiting nonequilibrium work relations and the calculation of free energy differences.

Maziar Heidari, Robinson Cortes-Huerto, Raffaello Potestio

|Jan 01, 2018

From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamics.

Karsten Kreis, Kurt Kremer, Raffaello Potestio

|Jul 03, 2017

Using force-based adaptive resolution simulations to calculate solvation free energies of amino acid sidechain analogues.

Raffaele Fiorentini, Kurt Kremer, Raffaello Potestio

|Feb 03, 2017

Erratum: "Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties" [J. Chem. Phys. 142, 195101 (2015)].

Aoife C Fogarty, Raffaello Potestio, Kurt Kremer

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Frequent Collaborators

2 joint publications

Maziar Heidari

2 joint publications

Robinson Cortes-Huerto

2 joint publications

Kurt Kremer

1 joint publications

Ramin Golestanian

1 joint publications

Claudio Perego

Frequent Collaborators

2 joint publications

Maziar Heidari

2 joint publications

Robinson Cortes-Huerto

2 joint publications

Kurt Kremer

1 joint publications

Ramin Golestanian

Computational chemistry

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