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Fate of the open-shell singlet ground state in the experimentally accessible acenes: A quantum Monte Carlo study

The Journal of chemical physics, 2018-04, Vol.148 (13), p.134112-134112

2018

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Weak binding between two aromatic rings: Feeling the van der Waals attraction by quantum Monte Carlo methods

The Journal of chemical physics, 2007-07, Vol.127 (1), p.014105-014105-12

2007

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Dynamical screening effects in correlated materials: Plasmon satellites and spectral weight transfers from a Green's function ansatz to extended dynamical mean field theory

Physical review. B, Condensed matter and materials physics, 2012-01, Vol.85 (3), Article 035115

2012

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

The Journal of chemical physics, 2020-05, Vol.152 (20), p.204121-204121

2020

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Size-consistent variational approaches to nonlocal pseudopotentials: Standard and lattice regularized diffusion Monte Carlo methods revisited

The Journal of chemical physics, 2010-04, Vol.132 (15), p.154113-154113-9

2010

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Thermal dependence of the hydrated proton and optimal proton transfer in the protonated water hexamer

Nature communications, 2023-10, Vol.14 (1), p.6930-6930, Article 6930

2023

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Intercalant and intermolecular phonon assisted superconductivity in K-doped picene

Physical review letters, 2011-09, Vol.107 (13), p.137006-137006, Article 137006

2011

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Combined GW and dynamical mean-field theory: Dynamical screening effects in transition metal oxides

Europhysics letters, 2012-12, Vol.100 (6), p.67001

2012

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Satellites and large doping and temperature dependence of electronic properties in hole-doped BaFe2As2

Nature physics, 2012-04, Vol.8 (4), p.331-337

2012

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Correlated geminal wave function for molecules: an efficient resonating valence bond approach

The Journal of chemical physics, 2004-10, Vol.121 (15), p.7110-7126

2004

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Order from disorder phenomena in BaCoS2

Communications physics, 2024-01, Vol.7 (1), p.35-9, Article 35

2024

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Beyond the locality approximation in the standard diffusion Monte Carlo method

Physical review. B, Condensed matter and materials physics, 2006-10, Vol.74 (16), Article 161102

Casula, Michele

2006

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Quantum symmetrization transition in superconducting sulfur hydride from quantum Monte Carlo and path integral molecular dynamics

npj computational materials, 2024-03, Vol.10 (1), p.56-12, Article 56

2024

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Rashba coupling amplification by a staggered crystal field

Nature communications, 2016-04, Vol.7 (1), p.11258-11258, Article 11258

2016

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Moving Dirac nodes by chemical substitution

Proceedings of the National Academy of Sciences - PNAS, 2021-08, Vol.118 (33), p.1-8

2021

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Dynamical screening in correlated electron systems-from lattice models to realistic materials

Journal of physics. Condensed matter, 2016-09, Vol.28 (38), p.383001-383001

2016

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Atomic forces by quantum Monte Carlo: Application to phonon dispersion calculations

Physical review. B, 2021-03, Vol.103 (12), Article L121110

2021

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High-pressure II-III phase transition in solid hydrogen: Insights from state-of-the-art ab initio calculations

Physical review research, 2022-10, Vol.4 (4), Article L042009

2022

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Vertical and adiabatic excitations in anthracene from quantum Monte Carlo: Constrained energy minimization for structural and electronic excited-state properties in the JAGP ansatz

The Journal of chemical physics, 2015-06, Vol.142 (21), p.214109-214109

2015

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Quantum Rényi entropy by optimal thermodynamic integration paths

Physical review research, 2022-07, Vol.4 (3), Article L032002

2022

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Epsilon iron as a spin-smectic state

Proceedings of the National Academy of Sciences - PNAS, 2019-10, Vol.116 (41), p.20280-20285

2019

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Quantum phase diagram of high-pressure hydrogen

Nature physics, 2023-06, Vol.19 (6), p.845-850

2023

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Ground-state properties of the narrowest zigzag graphene nanoribbon from quantum Monte Carlo and comparison with density functional theory

The Journal of chemical physics, 2022-02, Vol.156 (8), p.084112-084112

2022

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Molecular hydrogen adsorbed on benzene: Insights from a quantum Monte Carlo study

The Journal of chemical physics, 2008-10, Vol.129 (16), p.164711-164711

2008

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TurboGenius: Python suite for high-throughput calculations of ab initio quantum Monte Carlo methods

The Journal of chemical physics, 2023-12, Vol.159 (22)

2023

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Fate of the open-shell singlet ground state in the experimentally accessible acenes: A quantum Monte Carlo study

Weak binding between two aromatic rings: Feeling the van der Waals attraction by quantum Monte Carlo methods

Dynamical screening effects in correlated materials: Plasmon satellites and spectral weight transfers from a Green's function ansatz to extended dynamical mean field theory

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

Size-consistent variational approaches to nonlocal pseudopotentials: Standard and lattice regularized diffusion Monte Carlo methods revisited

Thermal dependence of the hydrated proton and optimal proton transfer in the protonated water hexamer

Intercalant and intermolecular phonon assisted superconductivity in K-doped picene

Combined GW and dynamical mean-field theory: Dynamical screening effects in transition metal oxides

Satellites and large doping and temperature dependence of electronic properties in hole-doped BaFe2As2

Correlated geminal wave function for molecules: an efficient resonating valence bond approach

Order from disorder phenomena in BaCoS2

Beyond the locality approximation in the standard diffusion Monte Carlo method

Quantum symmetrization transition in superconducting sulfur hydride from quantum Monte Carlo and path integral molecular dynamics

Rashba coupling amplification by a staggered crystal field

Moving Dirac nodes by chemical substitution

Dynamical screening in correlated electron systems-from lattice models to realistic materials

Atomic forces by quantum Monte Carlo: Application to phonon dispersion calculations

High-pressure II-III phase transition in solid hydrogen: Insights from state-of-the-art ab initio calculations

Vertical and adiabatic excitations in anthracene from quantum Monte Carlo: Constrained energy minimization for structural and electronic excited-state properties in the JAGP ansatz

Quantum Rényi entropy by optimal thermodynamic integration paths

Epsilon iron as a spin-smectic state

Quantum phase diagram of high-pressure hydrogen

Ground-state properties of the narrowest zigzag graphene nanoribbon from quantum Monte Carlo and comparison with density functional theory

Molecular hydrogen adsorbed on benzene: Insights from a quantum Monte Carlo study

TurboGenius: Python suite for high-throughput calculations of ab initio quantum Monte Carlo methods

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