Recent developments on quantum Monte Carlo

monte carlo
Monday, 11 October, 2021

With advances in algorithms and growing computing power, quantum Monte Carlo (QMC) methods have become a powerful tool for the description of a variety of quantum fluids and a viable alternative for high-accuracy calculations of the electronic structure of many atoms, molecules and solids. They are, however, at a less mature stage than today's ready-for-use quantum-chemistry or density-functional packages: while the production of results on a variety of quantum many-body systems has been going on for at least three decades, a significant effort is still devoted to research and development of methods and algorithms, including real-time dynamics, super-accurate optimization strategies for trial wavefunctions and molecular structures, inputs for the density functional theory of van der Waals forces, and eventually neural networks which at least for small molecular systems seem to improve the accuracy of variational quantum Monte Carlo to the point where it outperforms other ab-initio quantum chemistry methods.

Organized by his mentors and former students currently active in the field of computational physics, the workshop is also meant as a celebration of the 60th birthday of Saverio Moroni, a sound condensed-matter theorist who has given key contributions to quantum Monte Carlo methods, their application to a wealth of quantum fluids and chemical systems, and their dissemination in Europe. 

The workshop will take place at the Enrico Fermi Research Center, located in via Panisperna 89A, 00184 Rome, the famous building where Enrico Fermi and his group, ”the boys from via Panisperna”, gave crucial contributions to modern physics.


  • Fabio Affinito (CINECA)

  • Giovanni Bachelet (Sapienza Università di Roma)

  • Lilia Boeri (Sapienza Universita'' di Roma)

  • David Ceperley (University of Illinois at Urbana-Champaign)

  • Irene Iacuitto (CNR)

  • Gaetano Senatore (Università degli Studi di Trieste)



  1. J. Kolorenč, L. Mitas, Rep. Prog. Phys., 74, 026502 (2011)

  2. C. Autieri, P. Barone, J. Sławińska, S. Picozzi, Phys. Rev. Materials, 3, (2019)

  3. R. Martin, L. Reining, D. Ceperley, Interacting Electrons, 2016

  4. F. Becca, S. Sorella, Quantum Monte Carlo Approaches for Correlated Systems, 2017

  5. G. Carleo, L. Cevolani, L. Sanchez-Palencia, M. Holzmann, Phys. Rev. X, 7, (2017)

  6. R. Assaraf, S. Moroni, C. Filippi, J. Chem. Theory Comput., 13, 5273-5281 (2017)

  7. David Pfau, James S. Spencer, Alexander G. de G. Matthews, W. M. C. Foulkes,

L' Università degli Studi di Roma "La Sapienza" - Piazzale Aldo Moro 5, 00185 Roma