PAX-HPC : Particles At eXascale On high Performance Computers
01/12/2021 → 25/03/2025
Research

Quantum Monte Carlo methods applied to van der Waals heterostructures
Invited talk

Quantum Monte Carlo methods and the CASINO program: Applications to positronic materials and atomic gases
Invited talk

GPU acceleration of the CASINO quantum Monte Carlo program using OpenACC
Oral presentation

Quantum Monte Carlo: State of the art
Invited talk

Adhesion of Graphene to Hexagonal Boron Nitride
Invited talk

Quantum Monte Carlo simulations of positrons in electron liquids
Invited talk

Phase diagram and quasiparticle effective mass of the three-dimensional homogeneous electron gas
Oral presentation

Phase diagram and quasiparticle effective mass of the three-dimensional homogeneous electron gas
Invited talk

Quantum Monte Carlo studies of excitonic charge-carrier complexes in two-dimensional transition-metal dichalcogenides
Invited talk

Solving the Many-Particle Schrodinger Equation by Random Sampling Using the CASINO Program
Invited talk

Overview of continuum quantum Monte Carlo methods for one-dimensional systems
Invited talk

Charge-carrier complexes in monolayers and bilayers of transition metal dichalcogenides
Invited talk

Charge-carrier complexes in monolayers and bilayers of transition metal dichalcogenides
Invited talk

Charge-carrier complexes in monolayers and bilayers of transition metal dichalcogenides
Invited talk

Solving the many-electron Schroedinger equation by random sampling
Invited talk

Japan CASINO Tutorial Workshop 2017}
Participation in workshop, seminar, course

Ellel St. John's CE Primary School
School Engagement

High-pressure phase diagram of solid molecular hydrogen
Invited talk

The CASINO quantum Monte Carlo program: current status and future directions
Oral presentation

Quantum Monte Carlo and the CASINO Program X
Participation in workshop, seminar, course

Solving the many-electron Schr\"{o}dinger equation by random sampling
Invited talk

High-Pressure Phase Diagram of Solid Molecular Hydrogen
Invited talk

High-pressure phase diagram of solid molecular hydrogen
Invited talk

Excitonic properties of two-dimensional semiconductors
Invited talk

S. N. Bose-JAIST School on Quantum Monte Carlo
Participation in workshop, seminar, course

Quantum Monte Carlo and the CASINO Program IX
Participation in workshop, seminar, course

Electronic and vibrational properties of monolayer hexagonal indium chalcogenides
Oral presentation

Electronic and vibrational properties of monolayer hexagonal indium chalcogenides
Oral presentation

Electronic structure of two-dimensional crystals of hexagonal boron nitride
Invited talk

Quantum Monte Carlo and the CASINO Program VIII
Participation in workshop, seminar, course

Electronic structure of two-dimensional crystals of hexagonal boron nitride
Oral presentation

Positrons in homogeneous electron gases
Invited talk

St. Christopher's High School, Accrington
School Engagement

JAIST International Winter School: "QMC Electronic Structure Calculation"
Participation in workshop, seminar, course

Application of quantum Monte Carlo and density functional theory to a quantum impurity problem
Invited talk

Electronic structure of silicene in an external electric field
Invited talk

Quantum Monte Carlo and the CASINO Program VII
Participation in workshop, seminar, course

Quantum Monte Carlo calculation of the Fermi liquid parameters of the 2D homogeneous electron gas
Oral presentation

Quantum Monte Carlo and density functional theory studies of positron annihilation in electron gases
Invited talk

Quantum Monte Carlo and density functional theory studies of positron annihilation in electron gases
Invited talk

Quantum Monte Carlo and density functional theory studies of positron annihilation in electron gases
Invited talk

First-principles study of silicene in an external electric field
Oral presentation

Quantum Monte Carlo calculation of the Fermi liquid parameters of the two-dimensional homogeneous electron gas
Oral presentation

Quantum Monte Carlo and the CASINO Program VI
Participation in workshop, seminar, course

CASINO "Hands-On" Session, Psi-k/CECAM/CCP9 Biennial Graduate School in Electronic-Structure Methods
Participation in workshop, seminar, course

Variational and diffusion quantum Monte Carlo
Invited talk

Quantum Monte Carlo and the CASINO Program V
Participation in workshop, seminar, course

First-principles study of a positron immersed in an electron gas
Oral presentation

Quantum Monte Carlo and the CASINO Program IV
Participation in workshop, seminar, course

Quasiparticle effective mass of the two-dimensional homogeneous electron gas
Oral presentation

Quantum Monte Carlo study of the two-dimensional homogeneous electron gas
Invited talk

QMC studies of the two-dimensional homogeneous electron gas
Invited talk

Quantum Monte Carlo and the CASINO Program III
Participation in workshop, seminar, course

Quantum Monte Carlo study of the two-dimensional homogeneous electron gas
Oral presentation

QMC studies of the two-dimensional homogeneous electron gas
Invited talk

Advanced School on QMC Methods in Physics and Chemistry
Participation in workshop, seminar, course

van der Waals interactions between thin, metallic wires and layers
Invited talk

QMC studies of quantum nanowires and nanolayers
Invited talk

Finite-size effects in 3D homogeneous electron gases
Oral presentation

Quantum Monte Carlo and the CASINO Program II
Participation in workshop, seminar, course

QMC studies of quantum nanowires and nanolayers
Oral presentation

2007 Summer School on Computational Materials Science: Quantum Monte Carlo from Minerals and Materials to Molecules
Participation in workshop, seminar, course

Electron emission from diamondoids: a DMC study
Invited talk

The quantum Monte Carlo method
Invited talk

Quantum Monte Carlo and the CASINO Program
Participation in workshop, seminar, course

Positrons in homogeneous electron gases
Oral presentation

Optimisation of QMC trial wave functions by variance minimisation
Invited talk

Electron emission from diamondoids: a DMC study
Invited talk

Optimisation of Jastrow factors by variance minimisation and Electron emission from diamondoids: a DMC study
Oral presentation

The quantum Monte Carlo method
Invited talk

Introduction to the CASINO code
Participation in workshop, seminar, course

• Condensed Matter Theory
• Quantum Technology Centre