You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support
A continuous-time hybridization-expansion Monte Carlo code for calculating n-particle Green's functions of the Anderson impurity model and within dynamical mean-field theory.
Project developed for the Numeric Simulation Laboratory A.A. 2023-2024, held by professor Davide Emilio Galli at the University of Milan, Physics Department.
DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electron Schrödinger equation. DeepErwin supports weight-sharing when optimizing wave functions for multiple nuclear geometries and the usage of pre-trained neural network weights to accelerate optimization.
The purpose of this repository is to make prototypes as case study in the context of proof of concept(PoC) and research and development(R&D) that I have written in my website. The main research topics are Auto-Encoders in relation to the representation learning, the statistical machine learning for energy-based models, adversarial generation net…
Detecting phase transitions from Quantum Monte Carlo datasets using the "learning by confusion" (LbC) technique. Training CNNs in PyTorch to classify phases of matter in an electron-phonon model.