CECAM 2021 Workshop: Recent developments in quantum Monte Carlo
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.
In this year's workshop, the TREX project will be participating in this event and has submitted a poster abstract showcasing the "TREX: Targeting Real Chemical accuracy at Exascale", which will be presented by Fabio Affinito, who leads the specialistic support team at CINECA. And, some talks coming from some TREX partners:
- 05. Phase diagram of high-pressure hydrogen including nuclear quantum effects - Michele Casula, CNRS
- 08. Variational principles and excited states in quantum Monte Carlo - Claudia Filippi, University of Twente & TREX Project Coordinator
- 16. The phase diagram of the Hubbard model by Variational Auxiliary-Field QMC - Sandro Sorella, SISSA
It will take place from 21 to 22 October 2021 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.
To know more about this event, visit the official event page at www.cecam.org/workshop-details.
Claudia Filippi is full professor and head of the Computational Chemical Physics group within the Faculty of Science and Technology at the UT.
Fabio Affinito graduated in Physics at the University of Rome, “La Sapienza”, in 2003 and got a PhD in Physics at the University of Modena and Reggio Emilia.
Michele Casula graduated in 2005 at the International School of Advanced Studies (SISSA) in Trieste.
Sandro Sorella got his Ph.D.