Simone Chiesa

Path-Integral Monte Carlo Simulation of the Warm Dense Homogeneous Electron Gas

Ab initiorandom structure searching

Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system

Novel High Pressure Structures of Polymeric Nitrogen

First-principles calculations for point defects in solids

Computer Simulation of Liquids

The ITensor Software Library for Tensor Network Calculations

Metastable high-pressure single-bonded phases of nitrogen predicted via genetic algorithm

Automatic differentiation applied to excitations with projected entangled pair states

Materials discovery at high pressures

Recent advances and applications of machine learning in solid-state materials science

CALYPSO: A method for crystal structure prediction

VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code

Accuracy of quantum Monte Carlo methods for point defects in solids

The properties of hydrogen and helium under extreme conditions

First Principles Methods: A Perspective from Quantum Monte Carlo

Prediction of New Phases of Nitrogen at High Pressure from First-Principles Simulations

Finite-Size Error in Many-Body Simulations with Long-Range Interactions

Quantum Monte Carlo study of the two-dimensional fermion Hubbard model