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Prediction of the atomic structure of two-dimensional materials on substrates
Arslan B. Mazitov1,3, Artem R. Oganov2
11 Moscow Institute of Physics and Technology, 9 Institutsky lane, Dolgoprudny 141701, Russian Federation; 2Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, 3 Nobel Street, Moscow 121205, Russian Federation; 3Dukhov Research Institute of Automatics (VNIIA), Moscow 127055, Russian Federation
Nucleating different coordination in crystal under pressure: Study of B1-B2 transition in NaCl by metadynamics
Matej Badin1,2, Roman Martoňák2
1SISSA – Scuola Internazionale Superiore di Studi Avanzati, Via Bonomea 265, 34136 Trieste, Italy; 2Department of Experimental Physics, Comenius University, Mlynská Dolina F2, 842 48 Bratislava, Slovakia