List of works - Nick S Blunt

A hybrid approach to extending selected configuration interaction and full configuration interaction quantum Monte Carlo

scientific article published on 01 November 2019

Accurate Exchange-Correlation Energies for the Warm Dense Electron Gas. ⬇️

scientific article published on 7 September 2016

An excited-state approach within full configuration interaction quantum Monte Carlo. ⬇️

scientific article published in October 2015

Charge-transfer excited states: Seeking a balanced and efficient wave function ansatz in variational Monte Carlo.

scientific article

Communication: An efficient and accurate perturbative correction to initiator full configuration interaction quantum Monte Carlo

scientific article published on 01 June 2018

Density matrices in full configuration interaction quantum Monte Carlo: Excited states, transition dipole moments, and parallel distribution.

scientific article published in June 2017

Efficient multireference perturbation theory without high-order reduced density matrices

scientific article published on 01 October 2020

Excited-State Diffusion Monte Carlo Calculations: A Simple and Efficient Two-Determinant Ansatz

scientific article published on 20 December 2018

Fixed- and Partial-Node Approximations in Slater Determinant Space for Molecules

scientific article published on 22 September 2021

Interaction picture density matrix quantum Monte Carlo ⬇️

scientific article published in July 2015

Krylov-Projected Quantum Monte Carlo Method ⬇️

scientific article published on 31 July 2015

Multireference configuration interaction and perturbation theory without reduced density matrices

scientific article published on 01 December 2019

NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods

scientific article published on 01 July 2020

Preconditioning and Perturbative Estimators in Full Configuration Interaction Quantum Monte Carlo

scientific article published on 15 May 2019

QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids.

scientific article

Quantum computing in pharma: A multilayer embedding approach for near future applications

scientific article published on 05 July 2022

Recent developments in the PySCF program package