Jiri Klimes
Jiri Klimes
Researcher (academic), Faculty of Mathematics and Physics, Charles University, Prague
Verified email at karlov.mff.cuni.cz - Homepage
TitleCited byYear
Van der Waals density functionals applied to solids
J Klimeš, DR Bowler, A Michaelides
Physical Review B 83 (19), 195131, 2011
23962011
Chemical accuracy for the van der Waals density functional
J Klimeš, DR Bowler, A Michaelides
Journal of Physics: Condensed Matter 22 (2), 022201, 2009
19832009
Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory
J Klimeš, A Michaelides
The Journal of Chemical Physics 137 (12), 120901, 2012
7982012
Graphene on Ni (111): Strong interaction and weak adsorption
F Mittendorfer, A Garhofer, J Redinger, J Klimeš, J Harl, G Kresse
Physical Review B 84 (20), 201401, 2011
2322011
Hydrogen bonds and van der Waals forces in ice at ambient and high pressures
B Santra, J Klimeš, D Alfè, A Tkatchenko, B Slater, A Michaelides, R Car, ...
Physical review letters 107 (18), 185701, 2011
1852011
Improved description of soft layered materials with van der Waals density functional theory
G Graziano, J Klimeš, F Fernandez-Alonso, A Michaelides
Journal of Physics: Condensed Matter 24 (42), 424216, 2012
1622012
To wet or not to wet? Dispersion forces tip the balance for water ice on metals
J Carrasco, B Santra, J Klimeš, A Michaelides
Physical review letters 106 (2), 026101, 2011
1582011
The role of van der Waals forces in water adsorption on metals
J Carrasco, J Klimeš, A Michaelides
The Journal of chemical physics 138 (2), 024708, 2013
1372013
Predictive calculations using plane waves and pseudopotentials
J Klimeš, M Kaltak, G Kresse
Physical Review B 90 (7), 075125, 2014
1152014
On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures
B Santra, J Klimeš, A Tkatchenko, D Alfè, B Slater, A Michaelides, R Car, ...
The Journal of chemical physics 139 (15), 154702, 2013
1062013
Lattice constants and cohesive energies of alkali, alkaline-earth, and transition metals: Random phase approximation and density functional theory results
L Schimka, R Gaudoin, J Klimeš, M Marsman, G Kresse
Physical Review B 87 (21), 214102, 2013
842013
Cubic scaling algorithm for the random phase approximation: Self-interstitials and vacancies in Si
M Kaltak, J Klimeš, G Kresse
Physical Review B 90 (5), 054115, 2014
792014
Low scaling algorithms for the random phase approximation: Imaginary time and Laplace transformations
M Kaltak, J Klimeš, G Kresse
Journal of chemical theory and computation 10 (6), 2498-2507, 2014
712014
Influence of water on the electronic structure of metal-supported graphene: Insights from van der Waals density functional theory
X Li, J Feng, E Wang, S Meng, J Klimeš, A Michaelides
Physical Review B 85 (8), 085425, 2012
702012
A critical assessment of theoretical methods for finding reaction pathways and transition states of surface processes
J Klimeš, DR Bowler, A Michaelides
Journal of Physics: Condensed Matter 22 (7), 074203, 2010
642010
Vibronic Effects in single molecule conductance: first-principles description and application to benzenealkanethiolates between gold Electrodes
C Benesch, M Cizek, J Klimeš, I Kondov, M Thoss, W Domcke
The Journal of Physical Chemistry C 112 (26), 9880-9890, 2008
612008
Proton ordering in cubic ice and hexagonal ice; a potential new ice phase—XIc
Z Raza, D Alfe, CG Salzmann, J Klimeš, A Michaelides, B Slater
Physical Chemistry Chemical Physics 13 (44), 19788-19795, 2011
552011
Understanding the interaction of the porphyrin macrocycle to reactive metal substrates: Structure, bonding, and adatom capture
MS Dyer, A Robin, S Haq, R Raval, M Persson, J Klimeš
ACS nano 5 (3), 1831-1838, 2011
512011
Cubic scaling : Towards fast quasiparticle calculations
P Liu, M Kaltak, J Klimeš, G Kresse
Physical Review B 94 (16), 165109, 2016
422016
The random phase approximation applied to ice
M Macher, J Klimeš, C Franchini, G Kresse
The Journal of chemical physics 140 (8), 084502, 2014
422014
The system can't perform the operation now. Try again later.
Articles 1–20