Selected publications

• Nucleating a Different Coordination in a Crystal under Pressure: A Study of the B1-B2 Transition in NaCl by Metadynamics Matej Badin and Roman Martonak Phys. Rev. Lett. 127, 105701 (2021)
• Pressure-induced amorphization and existence of molecular and polymeric amorphous forms in dense SO2 Huichao Zhang, Ondrej Tóth, Xiao-Di Liu, Roberto Bini, Eugene Gregoryanz, Philip Dalladay-Simpson, Simone De Panfilis, Mario Santoro, Federico Aiace Gorelli, and Roman Martoňák PNAS April 21, 2020 117 (16) 8736-8742
• High-Pressure Structural Evolution of Disordered Polymeric CS2 Jinwei Yan, Ondrej Tóth, Wan Xu, Xiao-Di Liu, Eugene Gregoryanz, Philip Dalladay-Simpson, Zeming Qi, Shiyu Xie, Federico Gorelli, Roman Martoňák, and Mario Santoro J. Phys. Chem. Lett. 2021, 12, 7229−7235
• Pressure-induced structural transformation of clathrate Ge136 via ultrafast recrystallization of an amorphous intermediate Marián Ryník, Stefano Leoni, and Roman Martoňák PHYSICAL REVIEW B 105, 134107 (2022)
• Study of polymerization of high-pressure nitrogen by ab initio molecular dynamics Dominika Melicherová, Roman Martoňák J. Chem. Phys. 158, 244503 (2023)

VUPCH

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