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List of works by Ye Luo

Ab Initio Molecular Dynamics with Quantum Monte Carlo

scientific article published on 7 April 2015

Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo ⬇️

scientific article published on 01 April 2015

Ab initio molecular dynamics with noisy forces: validating the quantum Monte Carlo approach with benchmark calculations of molecular vibrational properties

scientific article published on 01 November 2014

An efficient hybrid orbital representation for quantum Monte Carlo calculations

scientific article published on 01 August 2018

Molecular Properties by Quantum Monte Carlo: An Investigation on the Role of the Wave Function Ansatz and the Basis Set in the Water Molecule

scientific article published on October 2013

QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo

scientific article published on 01 May 2020

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

scientific article

Static and Dynamical Correlation in Diradical Molecules by Quantum Monte Carlo Using the Jastrow Antisymmetrized Geminal Power Ansatz ⬇️

scientific article published on 27 February 2014

Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids-A case study in diamond

scientific article published on 01 November 2020

TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo

scientific article published on 01 May 2020

Wurtzite-derived polytypes of kesterite and stannite quaternary chalcogenide semiconductors

scholarly article in Physical Review B, vol. 82 no. 19, November 2010

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