☰ Chemistry Tree

Roberto Car

Affiliations:

Chemistry

Princeton University, Princeton, NJ

Area:

atomistic and the electronic structure and dynamics in materials

Website:

http://chemistry.princeton.edu/faculty/car

Google:

Mean distance: 9.85

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Parents

Orazio Svelto	grad student	1971	Politecnico di Milano
Sokrates T. Pantelides	post-doc		IBM Thomas J. Watson Research Center (Physics Tree)

Children

Thomas Gregor	research assistant	1998-2001	University of Geneva
Qiming Zhang	grad student	1989	International School for Advanced Studies (SISSA) (Physics Tree)
Yudong Wu	grad student	2004	Princeton
Manu Sharma	grad student	2005	Princeton
Xiaofei Wang	grad student	2005	Princeton
Yosuke Kanai	grad student	2006	Princeton
Simone Piccinin	grad student	2006	Princeton
Varadharajan Srinivasan	grad student	2007	Princeton
Joseph A. Morrone	grad student	2008	Princeton
Wei Chen	grad student	2009	Princeton
Zhaofeng Li	grad student	2012	Princeton
Lukas F Muechler	grad student	2013-2018	Princeton
Xifan Wu	post-doc		Princeton (Physics Tree)
Olivier Parisel	post-doc	1997	EPFL
Robert A. DiStasio Jr.	post-doc	2009-2015	Princeton
Biswajit Santra	post-doc	2012-2017	Princeton (Physics Tree)

Collaborators

collaborator

Princeton (Physics Tree)

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Publications

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Tang F, Li Z, Zhang C, et al. (2022) Many-body effects in the X-ray absorption spectra of liquid water. Proceedings of the National Academy of Sciences of the United States of America. 119: e2201258119
Calegari Andrade MF, Ko HY, Zhang L, et al. (2020) Free energy of proton transfer at the water-TiO interface from deep potential molecular dynamics. Chemical Science. 11: 2335-2341
Piaggi PM, Car R. (2020) Phase equilibrium of liquid water and hexagonal ice from enhanced sampling molecular dynamics simulations. The Journal of Chemical Physics. 152: 204116
Sommers GM, Calegari Andrade MF, Zhang L, et al. (2020) Raman spectrum and polarizability of liquid water from deep neural networks. Physical Chemistry Chemical Physics : Pccp. 22: 10592-10602
Giannozzi P, Baseggio O, Bonfà P, et al. (2020) Quantum ESPRESSO toward the exascale. The Journal of Chemical Physics. 152: 154105
Ko HY, Jia J, Santra B, et al. (2020) Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Molecular Dynamics I: Theory, Algorithm, and Performance. Journal of Chemical Theory and Computation
Zhang L, Chen M, Wu X, et al. (2020) Deep neural network for the dielectric response of insulators Physical Review B. 102
Muechler L, Hu W, Lin L, et al. (2020) Influence of point defects on the electronic and topological properties of monolayer WTe 2 Physical Review B. 102: 41103
Calegari Andrade MF, Ko H, Zhang L, et al. (2020) Free energy of proton transfer at the water–TiO2 interface from ab initio deep potential molecular dynamics Chemical Science. 11: 2335-2341
Galli G, Martin RM, Car R, et al. (2019) Structural and electronic properties of amorphous carbon. Physical Review Letters. 62: 555-558

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