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Variational Monte Carlo solver for atoms and diatomic molecules written from scratch in C++. It is possible to use the output HF basis from github.com/mortele/Hartree-Fock as the Slater determinant and let the VMC scheme optimize only the Jastrow factor.
Generate error bars and perform binning analysis using jackknife or bootstrap resampling. Calculate average and error in quantum Monte Carlo data (or other data) and on functions of averages (such as fluctuations, skew, and kurtosis).
Project developed for the Numeric Simulation Laboratory A.A. 2022-2023, held by professor Davide Emilio Galli at the University of Milan, Physics Department.
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.
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…