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R. Martoňák · SciRah

Researcher profile · Semantic Scholar

R. Martoňák

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R. Martoňák — researcher profile on SciRah

h-index: 29
Works: 99
Citations: 4,307

Most-cited papers

Predicting crystal structures: the Parrinello-Rahman method revisited.
R. Martoňák, A. Laio, M. Parrinello
2002Physical Review Letters692 citations Open access
Semantic Scholar
Theory of Quantum Annealing of an Ising Spin Glass
G. Santoro, R. Martoňák, E. Tosatti, R. Car
2002Science612 citations Open access
Semantic Scholar
Anisotropy of Earth's D″ layer and stacking faults in the MgSiO3 post-perovskite phase
A. Oganov, R. Martoňák, A. Laio, P. Raiteri +1 more
2005Nature218 citations Open access
Semantic Scholar
Metadynamics simulations of the high-pressure phases of silicon employing a high-dimensional neural network potential.
J. Behler, R. Martoňák, D. Donadio, M. Parrinello
2008Physical Review Letters187 citations
Semantic Scholar
Crystal structure transformations in SiO2 from classical and ab initio metadynamics
R. Martoňák, D. Donadio, A. Oganov, M. Parrinello
2006Nature Materials185 citations
Semantic Scholar
Quantum annealing of the traveling-salesman problem.
R. Martoňák, G. Santoro, E. Tosatti
2004Physical review. E, Statistical, nonlinear, and soft matter physics183 citations Open access
Semantic Scholar
Quantum annealing by the path-integral Monte Carlo method: The two-dimensional random Ising model
R. Martoňák, G. Santoro, E. Tosatti
2002131 citations
Semantic Scholar
Exploring polymorphism: the case of benzene.
P. Raiteri, R. Martoňák, M. Parrinello
2005Angewandte Chemie129 citations Open access
Semantic Scholar
Simulation of structural phase transitions by metadynamics
R. Martoňák, A. Laio, M. Bernasconi, C. Ceriani +3 more
2004112 citations Open access
Semantic Scholar
Structure change, layer sliding, and metallization in high-pressure MoS 2
Liliana Hromadov'a, R. Martoňák, E. Tosatti
2013110 citations Open access
Semantic Scholar
High-pressure polymeric phases of carbon dioxide
Jian Sun, D. Klug, R. Martoňák, J. A. Montoya +3 more
2009Proceedings of the National Academy of Sciences of the United States of America93 citations Open access
Semantic Scholar
MgO phase diagram from first principles in a wide pressure-temperature range
A. Belonoshko, S. Arapan, R. Martoňák, A. Rosengren
201084 citations
Semantic Scholar
Superhard s p3 carbon allotropes with odd and even ring topologies
Daniele Selli, I. Baburin, R. Martoňák, S. Leoni
201181 citations Open access
Semantic Scholar
Polyamorphism of ice at low temperatures from constant-pressure simulations.
R. Martoňák, D. Donadio, M. Parrinello
2004Physical Review Letters77 citations Open access
Semantic Scholar
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
2005Journal of Chemical Physics75 citations Open access
Semantic Scholar
Pressure‐induced phase transitions in silicon studied by neural network‐based metadynamics simulations
J. Behler, R. Martoňák, D. Donadio, M. Parrinello
200874 citations
Semantic Scholar
Structural transformations in carbon under extreme pressure: beyond diamond.
Jian Sun, D. Klug, R. Martoňák
2009Journal of Chemical Physics58 citations
Semantic Scholar
Comment on "New metallic carbon crystal".
Yan-Sun Yao, John S. Tse, Jian Sun, D. Klug +2 more
2009Physical Review Letters57 citations
Semantic Scholar
Pressure-induced gap closing and metallization of MoSe 2 and MoTe 2
Michaela Riflikov'a, R. Martoňák, E. Tosatti
201450 citations Open access
Semantic Scholar
Pressure-induced structural transitions in BN from ab initio metadynamics
L. Hromadová, R. Martoňák
201148 citations
Semantic Scholar
Structural prediction and phase transformation mechanisms in calcium at high pressure.
Yan-Sun Yao, D. Klug, Jian Sun, R. Martoňák
2009Physical Review Letters46 citations
Semantic Scholar
From four- to six-coordinated silica: Transformation pathways from metadynamics
R. Martoňák, D. Donadio, A. Oganov, M. Parrinello
200745 citations
Semantic Scholar
Crystal structure prediction and simulations of structural transformations: metadynamics and evolutionary algorithms
R. Martoňák, A. Oganov, C. W. Glass
200735 citations
Semantic Scholar
Ab initio molecular dynamics with a classical pressure reservoir: simulation of pressure-induced amorphization in a Si35H36 cluster
R. Martoňák, C. Molteni, Michele Parrinello
2000Physical Review Letters35 citations
Semantic Scholar
Transformation pathways in high-pressure solid nitrogen: from molecular N2 to polymeric cg-N.
D. Plašienka, R. Martoňák
2014Journal of Chemical Physics33 citations Open access
Semantic Scholar
Novel metastable metallic and semiconducting germaniums
Daniele Selli, I. Baburin, R. Martoňák, S. Leoni
2012Scientific Reports33 citations Open access
Semantic Scholar
ORTHORHOMBIC PHASE OF CRYSTALLINE POLYETHYLENE : A MONTE CARLO STUDY
R. Martoňák, Wolfgang Paul, K. Binder
199632 citations Open access
Semantic Scholar
Influence of Temperature and Anisotropic Pressure on the Phase Transitions inα-Cristobalite
D. Donadio, R. Martoňák, P. Raiteri, M. Parrinello
200829 citations
Semantic Scholar
Pressure-induced structural transformations in a medium-sized silicon nanocrystal by tight-binding molecular dynamics
R. Martoňák, L. Colombo, C. Molteni, M. Parrinello
200229 citations
Semantic Scholar
Constant pressure reactive molecular dynamics simulations of phase transitions under pressure: The graphite to diamond conversion revisited
F. Zipoli, M. Bernasconi, R. Martoňák
200428 citations
Semantic Scholar
A new constant-pressure ab initio/classical molecular dynamics method: simulation of pressure-induced amorphization in a Si35H36 cluster
R. Martoňák, C. Molteni, M. Parrinello
200127 citations
Semantic Scholar
First principles molecular dynamics simulations of pressure-induced structural transformations in silicon clusters
C. Molteni, R. Martoňák, M. Parrinello
200126 citations
Semantic Scholar
Molecular dynamics simulation of reconstructive phase transitions on an anhydrous zeolite
C. Ceriani, A. Laio, E. Fois, A. Gamba +2 more
200425 citations Open access
Semantic Scholar
Orthorhombic phase of crystalline polyethylene: A constant pressure path-integral Monte Carlo study
R. Martoňák, Wolfgang Paul, K. Binder
199725 citations Open access
Semantic Scholar
Quantum and classical ripples in graphene
Juraj Hasik, E. Tosatti, R. Martoňák
201724 citations Open access
Semantic Scholar
Creating new layered structures at high pressures: SiS2
D. Plašienka, R. Martoňák, E. Tosatti
2016Scientific Reports24 citations Open access
Semantic Scholar
Pressure-induced structural phase transitions in CdSe: a metadynamics study.
C. Bealing, R. Martoňák, C. Molteni
2009Journal of Chemical Physics24 citations
Semantic Scholar
Synthesis and Raman spectroscopy of a layered SiS2 phase at high pressures.
Yu Wang, Shu-Qing Jiang, A. Goncharov, F. Gorelli +5 more
2018Journal of Chemical Physics22 citations
Semantic Scholar
Structural transformation between long and short-chain form of liquid sulfur from ab initio molecular dynamics.
D. Plašienka, P. Cifra, R. Martoňák
2014Journal of Chemical Physics22 citations Open access
Semantic Scholar
A new molecular-dynamics based approach for molecular crystal structure search.
V. Buch, R. Martoňák, M. Parrinello
2005Journal of Chemical Physics22 citations
Semantic Scholar
A field-theoretical approach to simulation in the classical canonical and grand canonical ensemble
S. A. Baeurle, R. Martoňák, M. Parrinello
200222 citations
Semantic Scholar
Path-integral Monte Carlo study of a model two-dimensional quantum paraelectric.
R. Martoňák, E. Tosatti
1993Physical Review B (Condensed Matter)22 citations Open access
Semantic Scholar
Exploration of NVE classical trajectories as a tool for molecular crystal structure prediction, with tests on ice polymorphs.
V. Buch, R. Martoňák, M. Parrinello
2006Journal of Chemical Physics20 citations
Semantic Scholar
Assessment of isobaric-isothermal (NPT) simulations for finite systems
S. Baltazar, A. Romero, J. Rodríguez-López, H. Terrones +1 more
200620 citations
Semantic Scholar
New High-Pressure Phases of MoSe$_2$ and MoTe$_2$
Oto Kohul'ak, R. Martoňák
201619 citations Open access
Semantic Scholar
Systematic comparison of crystalline and amorphous phases: Charting the landscape of water structures and transformations.
F. Pietrucci, R. Martoňák
2015Journal of Chemical Physics19 citations
Semantic Scholar
Stability of simple cubic calcium at high pressure: A first-principles study
Yan-Sun Yao, R. Martoňák, S. Patchkovskii, D. Klug
201019 citations Open access
Semantic Scholar
Rotational melting in displacive quantum paraelectrics
E. Tosatti, R. Martoňák
199419 citations Open access
Semantic Scholar
Pressure-induced amorphization and existence of molecular and polymeric amorphous forms in dense SO2
Hui-Chao Zhang, Ondřej Toth, Xiao-Di Liu, R. Bini +6 more
2019Proceedings of the National Academy of Sciences of the United States of America18 citations Open access
Semantic Scholar
Plastic deformation of orthoenstatite and the ortho- to high-pressure clinoenstatite transition: a metadynamics simulation study
S. Jahn, R. Martoňák
200818 citations Open access
Semantic Scholar

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