Page 1 | Search Results | AIP Publishing

Skip to Main Content

Skip Nav Destination

1-4 of 4

Sort by

Sort Order Select

Journal Articles

i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations

Yair Litman, Venkat Kapil, Yotam M. Y. Feldman, Davide Tisi, Tomislav Begušić, Karen Fidanyan, Guillaume Fraux, Jacob Higer, Matthias Kellner, Tao E. Li, Eszter S. Pós, Elia Stocco, George Trenins, Barak Hirshberg, Mariana Rossi, Michele Ceriotti

J. Chem. Phys. 161, 062504 (2024)

https://doi.org/10.1063/5.0215869

Published: August 2024

View article titled, i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations

Journal Articles

Quantum rates in dissipative systems with spatially varying friction

Oliver Bridge, Paolo Lazzaroni, Rocco Martinazzo, Mariana Rossi, Stuart C. Althorpe, Yair Litman

J. Chem. Phys. 161, 024110 (2024)

https://doi.org/10.1063/5.0216823

Published: July 2024

View article titled, Quantum rates in dissipative systems with spatially varying friction

Journal Articles

Quantum tunneling in real space: Tautomerization of single porphycene molecules on the (111) surface of Cu, Ag, and Au

Takashi Kumagai, Janina N. Ladenthin, Yair Litman, Mariana Rossi, Leonhard Grill, Sylwester Gawinkowski, Jacek Waluk, Mats Persson

J. Chem. Phys. 148, 102330 (2018)

https://doi.org/10.1063/1.5004602

Published: December 2017

View article titled, Quantum tunneling in real space: Tautomerization of single porphycene molecules on the (111) surface of Cu, Ag, and Au

Includes: Supplementary data

Journal Articles

Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperature

Yair Litman, Davide Donadio, Michele Ceriotti, Mariana Rossi

J. Chem. Phys. 148, 102320 (2018)

https://doi.org/10.1063/1.5002537

Published: November 2017

View article titled, Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperature

Includes: Supplementary data