Andrea Rizzi

12PUBLICATIONS
56CO-AUTHORS
Theoretical quantum chemistryStatistical mechanics in chemistryContext learningComputational chemistryBiomolecular modelling and design
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (12)

|Dec 17, 2025
Repeatability of Relative Free Energy Calculations in Solution with ANI-2x and MACE-OFF23.

Sara Tkaczyk, Thierry Langer, Marcus Wieder

|Apr 26, 2024
Effective data-driven collective variables for free energy calculations from metadynamics of paths.

Lukas Müllender, Andrea Rizzi, Michele Parrinello

|Nov 06, 2023
Free energies at QM accuracy from force fields via multimap targeted estimation.

Andrea Rizzi, Paolo Carloni, Michele Parrinello

|Jul 06, 2023
A unified framework for machine learning collective variables for enhanced sampling simulations: mlcolvar.

Luigi Bonati, Enrico Trizio, Andrea Rizzi

|Jun 15, 2023
Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations.

Bharath Raghavan, Mirko Paulikat, Katya Ahmad

|Sep 23, 2021
Targeted Free Energy Perturbation Revisited: Accurate Free Energies from Mapped Reference Potentials.

Andrea Rizzi, Paolo Carloni, Michele Parrinello

Pageof 2

Frequent Collaborators

6 joint publications

John D Chodera

5 joint publications

David L Mobley

4 joint publications

Paolo Carloni

3 joint publications

Michele Parrinello