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On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures

The Journal of chemical physics, 2013-10, Vol.139 (15), p.154702-154702

2013

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Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory

The Journal of chemical physics, 2012-09, Vol.137 (12), p.120901-120901

2012

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Chemical accuracy for the van der Waals density functional

Journal of physics. Condensed matter, 2010-01, Vol.22 (2), p.022201-022201 (5)

2010

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Lattice energies of molecular solids from the random phase approximation with singles corrections

The Journal of chemical physics, 2016-09, Vol.145 (9), p.094506-094506

Klimeš, Jiří

2016

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Cubic scaling algorithm for the random phase approximation: Self-interstitials and vacancies in Si

Physical review. B, Condensed matter and materials physics, 2014-08, Vol.90 (5), Article 054115

2014

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The role of van der Waals forces in water adsorption on metals

The Journal of chemical physics, 2013-01, Vol.138 (2), p.024708-024708

2013

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Zirconia-A stationary phase capable of the separation of polar markers of myocardial metabolism in hydrophilic interaction chromatography

Journal of separation science, 2014-05, Vol.37 (9-10), p.1089-1093

2014

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Contributions beyond direct random-phase approximation in the binding energy of solid ethane, ethylene, and acetylene

The Journal of chemical physics, 2024-06, Vol.160 (22)

2024

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Assessment of random phase approximation and second-order Møller–Plesset perturbation theory for many-body interactions in solid ethane, ethylene, and acetylene

The Journal of chemical physics, 2023-04, Vol.158 (14), p.144119-144119

2023

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Fast and accurate quantum Monte Carlo for molecular crystals

Proceedings of the National Academy of Sciences - PNAS, 2018-02, Vol.115 (8), p.1724-1729

2018

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Use of different stationary phases for separation of isoniazid, its metabolites and vitamin B6 forms

Journal of separation science, 2011-06, Vol.34 (12), p.1357-1365

2011

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Improved description of soft layered materials with van der Waals density functional theory

Journal of physics. Condensed matter, 2012-10, Vol.24 (42), p.424216-424216

2012

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To wet or not to wet? Dispersion forces tip the balance for water ice on metals

Physical review letters, 2011-01, Vol.106 (2), p.026101-026101, Article 026101

2011

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Cubic scaling GW: Towards fast quasiparticle calculations

Physical review. B, 2016-10, Vol.94 (16), p.165109

2016

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Kohn-Sham band gaps and potentials of solids from the optimised effective potential method within the random phase approximation

The Journal of chemical physics, 2014-02, Vol.140 (5), p.054516-054516

2014

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Efficient and accurate description of adsorption in zeolites

The Journal of chemical physics, 2019-12, Vol.151 (23), p.234108-234108

2019

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Identification of in vitro metabolites of the novel anti-tumor thiosemicarbazone, DpC, using ultra-high performance liquid chromatography–quadrupole-time-of-flight mass spectrometry

Analytical and bioanalytical chemistry, 2013-02, Vol.405 (5), p.1651-1661

2013

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Development of an LC-MS/MS method for analysis of interconvertible Z/E isomers of the novel anticancer agent, Bp4eT

Analytical and bioanalytical chemistry, 2010-05, Vol.397 (1), p.161-171

2010

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Hydrogen bonds and van der waals forces in ice at ambient and high pressures

Physical review letters, 2011-10, Vol.107 (18), p.185701-185701, Article 185701

2011

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Lattice constants and cohesive energies of alkali, alkaline-earth, and transition metals: Random phase approximation and density functional theory results

Physical review. B, Condensed matter and materials physics, 2013-06, Vol.87 (21), Article 214102

2013

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HPLC study of glimepiride under hydrolytic stress conditions

Journal of pharmaceutical and biomedical analysis, 2004-09, Vol.36 (1), p.205-209

2004

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Titania-based stationary phase in separation of ondansetron and its related compounds

Journal of Chromatography A, 2008-05, Vol.1189 (1), p.83-91

2008

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Ferroelectric 2D ice under graphene confinement

Nature communications, 2021-11, Vol.12 (1), p.6291-6291, Article 6291

2021

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A critical assessment of theoretical methods for finding reaction pathways and transition states of surface processes

Journal of physics. Condensed matter, 2010-02, Vol.22 (7), p.074203-074203

2010

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Singles correlation energy contributions in solids

The Journal of chemical physics, 2015-09, Vol.143 (10), p.102816-102816

2015

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On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures

Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory

Chemical accuracy for the van der Waals density functional

Lattice energies of molecular solids from the random phase approximation with singles corrections

Cubic scaling algorithm for the random phase approximation: Self-interstitials and vacancies in Si

The role of van der Waals forces in water adsorption on metals

Zirconia-A stationary phase capable of the separation of polar markers of myocardial metabolism in hydrophilic interaction chromatography

Contributions beyond direct random-phase approximation in the binding energy of solid ethane, ethylene, and acetylene

Assessment of random phase approximation and second-order Møller–Plesset perturbation theory for many-body interactions in solid ethane, ethylene, and acetylene

Fast and accurate quantum Monte Carlo for molecular crystals

Use of different stationary phases for separation of isoniazid, its metabolites and vitamin B6 forms

Improved description of soft layered materials with van der Waals density functional theory

To wet or not to wet? Dispersion forces tip the balance for water ice on metals

Cubic scaling GW: Towards fast quasiparticle calculations

Kohn-Sham band gaps and potentials of solids from the optimised effective potential method within the random phase approximation

Efficient and accurate description of adsorption in zeolites

Identification of in vitro metabolites of the novel anti-tumor thiosemicarbazone, DpC, using ultra-high performance liquid chromatography–quadrupole-time-of-flight mass spectrometry

Development of an LC-MS/MS method for analysis of interconvertible Z/E isomers of the novel anticancer agent, Bp4eT

Hydrogen bonds and van der waals forces in ice at ambient and high pressures

Lattice constants and cohesive energies of alkali, alkaline-earth, and transition metals: Random phase approximation and density functional theory results

HPLC study of glimepiride under hydrolytic stress conditions

Titania-based stationary phase in separation of ondansetron and its related compounds

Ferroelectric 2D ice under graphene confinement

A critical assessment of theoretical methods for finding reaction pathways and transition states of surface processes

Singles correlation energy contributions in solids

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