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Roman Martonak
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Predicting crystal structures: the Parrinello-Rahman method revisited
R Martoňák, A Laio, M Parrinello
Physical review letters 90 (7), 075503, 2003
8862003
Theory of quantum annealing of an Ising spin glass
GE Santoro, R Martonák, E Tosatti, R Car
Science 295 (5564), 2427-2430, 2002
7722002
Anisotropy of Earth's D″ layer and stacking faults in the MgSiO3 post-perovskite phase
AR Oganov, R Martoňák, A Laio, P Raiteri, M Parrinello
Nature 438 (7071), 1142-1144, 2005
2802005
Metadynamics Simulations of the High-Pressure Phases of Silicon Employing<? format?> a High-Dimensional Neural Network Potential
J Behler, R Martoňák, D Donadio, M Parrinello
Physical review letters 100 (18), 185501, 2008
2792008
Crystal structure transformations in SiO2 from classical and ab initio metadynamics
R Martoňák, D Donadio, AR Oganov, M Parrinello
Nature materials 5 (8), 623-626, 2006
2612006
Quantum annealing of the traveling-salesman problem
R Martoňák, GE Santoro, E Tosatti
Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 70 (5 …, 2004
2542004
Exploring polymorphism: the case of benzene
P Raiteri, R Martoňák, M Parrinello
Angewandte Chemie International Edition 44 (24), 3769-3773, 2005
1812005
Quantum annealing by the path-integral Monte Carlo method: The two-dimensional random Ising model
R Martoňák, GE Santoro, E Tosatti
Physical Review B 66 (9), 094203, 2002
1792002
Simulation of structural phase transitions by metadynamics
R Martoňák, A Laio, M Bernasconi, C Ceriani, P Raiteri, F Zipoli, ...
Zeitschrift für Kristallographie-Crystalline Materials 220 (5-6), 489-498, 2005
1732005
Structure change, layer sliding, and metallization in high-pressure MoS
L Hromadova, R Martoňák, E Tosatti
Physical Review B—Condensed Matter and Materials Physics 87 (14), 144105, 2013
1462013
High-pressure polymeric phases of carbon dioxide
J Sun, DD Klug, R Martoňák, JA Montoya, MS Lee, S Scandolo, E Tosatti
Proceedings of the National Academy of Sciences 106 (15), 6077-6081, 2009
1312009
MgO phase diagram from first principles in a wide pressure-temperature range
AB Belonoshko, S Arapan, R Martonak, A Rosengren
Physical Review B—Condensed Matter and Materials Physics 81 (5), 054110, 2010
1252010
Polyamorphism of ice at low temperatures from constant-pressure simulations
R Martoňák, D Donadio, M Parrinello
Physical review letters 92 (22), 225702, 2004
1092004
Superhard carbon allotropes with odd and even ring topologies
D Selli, IA Baburin, R Martoňák, S Leoni
Physical Review B—Condensed Matter and Materials Physics 84 (16), 161411, 2011
1072011
Pressure‐induced phase transitions in silicon studied by neural network‐based metadynamics simulations
J Behler, R Martoňák, D Donadio, M Parrinello
physica status solidi (b) 245 (12), 2618-2629, 2008
1002008
Evolution of the structure of amorphous ice: From low-density amorphous through high-density amorphous to very high-density amorphous ice
R Martoňák, D Donadio, M Parrinello
The Journal of chemical physics 122 (13), 2005
932005
Structural prediction and phase transformation mechanisms in calcium at high pressure
Y Yao, DD Klug, J Sun, R Martoňák
Physical review letters 103 (5), 055503, 2009
802009
Structural transformations in carbon under extreme pressure: Beyond diamond
J Sun, DD Klug, R Martoňák
The Journal of chemical physics 130 (19), 2009
692009
Comment on “New Metallic Carbon Crystal”
Y Yao, JS Tse, J Sun, DD Klug, R Martoňák, T Iitaka
Phys. Rev. Lett. 102, 229601, 2009
652009
From four-to six-coordinated silica: Transformation pathways from metadynamics
R Martoňák, D Donadio, AR Oganov, M Parrinello
Physical Review B 76 (1), 014120, 2007
642007
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