Roman Martonak

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michele parrinelloDepartment of ChemistryVerified email at phys.chem.ethz.ch
Erio TosattiTheoretical Condensed Matter PhysicistVerified email at sissa.it
Davide DonadioUniversity of California DavisVerified email at ucdavis.edu
Alessandro LaioSISSAVerified email at sissa.it
Professor Paolo Raiteri, PhDCurtin UniversityVerified email at curtin.edu.au
Artem R. OganovSkolkovo Institute of Science and Technology, RussiaVerified email at skoltech.ru
Carla MolteniKing's College London, Physics DepartmentVerified email at kcl.ac.uk
Giuseppe E. SantoroProfessor of Condensed Matter Theory at SISSAVerified email at sissa.it
Stefano LeoniAssociate Professor of Computational ChemistryVerified email at cf.ac.uk
Yansun YaoAssociate Professor of Physics, University of SaskatchewanVerified email at usask.ca
Jörg BehlerRuhr-Universität BochumVerified email at ruhr-uni-bochum.de
Roberto CarRalph W Dornte Professor in Chemistry, Princeton University Verified email at princeton.edu
Federico ZipoliIBM Research - ZurichVerified email at zurich.ibm.com
Marco BernasconiUniversity of Milano-BicoccaVerified email at unimib.it
Anatoly BelonoshkoProfessor of Theoretical Physics, Royal Institute of Technology (KTH)Verified email at kth.se
Sandro ScandoloICTP, Trieste, ItalyVerified email at ictp.it
Mario SantoroResearch Director, National Institute of Optics, INO-CNR, and LENSVerified email at lens.unifi.it
Serguei PatchkovskiiVerified email at mbi-berlin.de
Sandro JahnProfessor für Mineralogie-Kristallographie, Universität zu KölnVerified email at uni-koeln.de
Luciano ColomboUniversity of Cagliari (Italy)Verified email at unica.it

Roman Martonak

Professor of Physics, Comenius University, Bratislava, Slovakia

Verified email at fmph.uniba.sk - Homepage

computer simulations in condensed matter physics condensed matter theory structural phase transitions in solids


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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	696	2003
Theory of quantum annealing of an Ising spin glass GE Santoro, R Martonák, E Tosatti, R Car Science 295 (5564), 2427-2430, 2002	690	2002
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	270	2005
Metadynamics simulations of the high-pressure phases of silicon employing a high-dimensional neural network potential J Behler, R Martoňák, D Donadio, M Parrinello Physical review letters 100 (18), 185501, 2008	250	2008
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	243	2006
Quantum annealing of the traveling-salesman problem R Martoňák, GE Santoro, E Tosatti Physical Review E 70 (5), 057701, 2004	212	2004
Exploring polymorphism: The case of benzene P Raiteri, R Martoňák, M Parrinello Angewandte Chemie International Edition 44 (24), 3769-3773, 2005	169	2005
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	165	2002
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	159	2005
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	130	2009
Structure change, layer sliding, and metallization in high-pressure MoS L Hromadova, R Martoňák, E Tosatti Physical Review B 87 (14), 144105, 2013	119	2013
Polyamorphism of ice at low temperatures from constant-pressure simulations R Martoňák, D Donadio, M Parrinello Physical review letters 92 (22), 225702, 2004	106	2004
MgO phase diagram from first principles in a wide pressure-temperature range AB Belonoshko, S Arapan, R Martonak, A Rosengren Physical Review B 81 (5), 054110, 2010	104	2010
Superhard s p 3 carbon allotropes with odd and even ring topologies D Selli, IA Baburin, R Martoňák, S Leoni Physical Review B 84 (16), 161411, 2011	101	2011
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), 134501, 2005	87	2005
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	82	2008
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	74	2009
Comment on “New Metallic Carbon Crystal” Y Yao, JS Tse, J Sun, DD Klug, R Martoňák, T Iitaka Phys. Rev. Lett. 102, 229601, 2009	64	2009
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	60	2007
Structural transformations in carbon under extreme pressure: Beyond diamond J Sun, DD Klug, R Martoňák The Journal of chemical physics 130 (19), 194512, 2009	58	2009

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