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Roberto Car

Showing results (71-80 of 122) with videos related to

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The Journal of Physical Chemistry. B|July 21, 2006
Quantum chemical evaluation of protein control over heme ligation: CO/O2 discrimination in myoglobinFilippo De Angelis, Andrzej A Jarzecki, Roberto Car, et al.
Inorganic Chemistry|September 20, 2011
Simple, unambiguous theoretical approach to oxidation state determination via first-principles calculationsPatrick H-L Sit, Roberto Car, Morrel H Cohen, et al.
The Journal of Chemical Physics|August 2, 2023
Melting curves of ice polymorphs in the vicinity of the liquid-liquid critical pointPablo M Piaggi, Thomas E Gartner, Roberto Car, et al.
Physical Review Letters|October 2, 2009
Controlling the nonequilibrium interlayer exchange coupling in asymmetric magnetic tunnel junctionsY-H Tang, Nicholas Kioussis, Alan Kalitsov, et al.
The Journal of Physical Chemistry. B|May 17, 2023
First-Principles-Based Machine Learning Models for Phase Behavior and Transport Properties of CO<sub>2</sub>Reha Mathur, Maria Carolina Muniz, Shuwen Yue, et al.
Physical Review Letters|February 22, 2026
Ab Initio Bulk Free Energy Surface of Proper FerroelectricsPinchen Xie, Yixiao Chen, Xinyu Xu, et al.
Physical Chemistry Chemical Physics : PCCP|May 8, 2020
Raman spectrum and polarizability of liquid water from deep neural networksGrace M Sommers, Marcos F Calegari Andrade, Linfeng Zhang, et al.
Chemical Science|June 4, 2021
Free energy of proton transfer at the water-TiO<sub>2</sub> interface from <i>ab initio</i> deep potential molecular dynamicsMarcos F Calegari Andrade, Hsin-Yu Ko, Linfeng Zhang, et al.
Faraday Discussions|October 4, 2023
A first-principles machine-learning force field for heterogeneous ice nucleation on microcline feldsparPablo M Piaggi, Annabella Selloni, Athanassios Z Panagiotopoulos, et al.
The Journal of Physical Chemistry. B|August 18, 2006
Anisotropic adsorption of molecular assemblies on crystalline surfacesJaehun Chun, Je-Luen Li, Roberto Car, et al.
Pageof 13

Showing results (71-80 of 122) with videos related to

Sort By:
Pageof 13
The Journal of Physical Chemistry. B|July 21, 2006
Quantum chemical evaluation of protein control over heme ligation: CO/O2 discrimination in myoglobinFilippo De Angelis, Andrzej A Jarzecki, Roberto Car, et al.
Inorganic Chemistry|September 20, 2011
Simple, unambiguous theoretical approach to oxidation state determination via first-principles calculationsPatrick H-L Sit, Roberto Car, Morrel H Cohen, et al.
The Journal of Chemical Physics|August 2, 2023
Melting curves of ice polymorphs in the vicinity of the liquid-liquid critical pointPablo M Piaggi, Thomas E Gartner, Roberto Car, et al.
Physical Review Letters|October 2, 2009
Controlling the nonequilibrium interlayer exchange coupling in asymmetric magnetic tunnel junctionsY-H Tang, Nicholas Kioussis, Alan Kalitsov, et al.
The Journal of Physical Chemistry. B|May 17, 2023
First-Principles-Based Machine Learning Models for Phase Behavior and Transport Properties of CO<sub>2</sub>Reha Mathur, Maria Carolina Muniz, Shuwen Yue, et al.
Physical Review Letters|February 22, 2026
Ab Initio Bulk Free Energy Surface of Proper FerroelectricsPinchen Xie, Yixiao Chen, Xinyu Xu, et al.
Physical Chemistry Chemical Physics : PCCP|May 8, 2020
Raman spectrum and polarizability of liquid water from deep neural networksGrace M Sommers, Marcos F Calegari Andrade, Linfeng Zhang, et al.
Chemical Science|June 4, 2021
Free energy of proton transfer at the water-TiO<sub>2</sub> interface from <i>ab initio</i> deep potential molecular dynamicsMarcos F Calegari Andrade, Hsin-Yu Ko, Linfeng Zhang, et al.
Faraday Discussions|October 4, 2023
A first-principles machine-learning force field for heterogeneous ice nucleation on microcline feldsparPablo M Piaggi, Annabella Selloni, Athanassios Z Panagiotopoulos, et al.
The Journal of Physical Chemistry. B|August 18, 2006
Anisotropic adsorption of molecular assemblies on crystalline surfacesJaehun Chun, Je-Luen Li, Roberto Car, et al.
Pageof 13