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
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
Yansun YaoProfessor of Physics, University of SaskatchewanVerified email at usask.ca
Stefano LeoniAssociate Professor of Computational ChemistryVerified email at cf.ac.uk
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) and Nanjing UniversityVerified email at kth.se
Mario SantoroResearch Director, National Institute of Optics, INO-CNR, and LENSVerified email at lens.unifi.it
Sandro ScandoloICTP, Trieste, ItalyVerified email at ictp.it
Serguei PatchkovskiiVerified email at mbi-berlin.de
Aldo Humberto RomeroWest Virginia UniversityVerified email at mail.wvu.edu
Sandro JahnProfessor für Wechselwirkung von Geomaterialien und Lebewesen, LMU MünchenVerified email at lmu.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	890	2003
Theory of quantum annealing of an Ising spin glass GE Santoro, R Martonák, E Tosatti, R Car Science 295 (5564), 2427-2430, 2002	775	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	287	2005
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	278	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	264	2006
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	261	2004
Exploring polymorphism: The case of benzene P Raiteri, R Martoňák, M Parrinello Angewandte Chemie International Edition 44 (24), 3769-3773, 2005	181	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	179	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	173	2005
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	148	2013
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	135	2009
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	126	2010
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	108	2011
Polyamorphism of ice at low temperatures from constant-pressure simulations R Martoňák, D Donadio, M Parrinello Physical review letters 92 (22), 225702, 2004	108	2004
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	101	2008
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	95	2005
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	80	2009
Structural transformations in carbon under extreme pressure: Beyond diamond J Sun, DD Klug, R Martoňák The Journal of chemical physics 130 (19), 2009	69	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	65	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	64	2007

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