Bulletin of the American Physical Society
APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020; Denver, Colorado
Session J04: Water Dynamics in Different Environments: Experiment and Theory IV. Bulk Water and Solute Hydration
2:30 PM–5:30 PM,
Tuesday, March 3, 2020
Room: 109
Sponsoring
Units:
DCP DCOMP DBIO DSOFT
Chair: Radha Boya, Univ of Manchester
Abstract: J04.00006 : Transient Anisotropy of Liquid Water*
Presenter:
Fabio Novelli
(Department of Physical Chemistry II, Ruhr University Bochum, 44780 Bochum, Germany)
Authors:
Fabio Novelli
(Department of Physical Chemistry II, Ruhr University Bochum, 44780 Bochum, Germany)
Luis Ruiz Pestana
(Pitzer Center for Theoretical Chemistry, Departments of Chemistry, Chemical and Biomolecular)
Kochise Bennett
(Pitzer Center for Theoretical Chemistry, Departments of Chemistry, Chemical and Biomolecular)
Nils Dessmann
(Radboud University, FELIX Laboratory, Toernooiveld 7, Nijmegen, Netherlands)
Federico Sebastiani
(Department of Physical Chemistry II, Ruhr University Bochum, 44780 Bochum, Germany)
Ellen Adams
(Department of Physical Chemistry II, Ruhr University Bochum, 44780 Bochum, Germany)
Kamyar Saeedi Ilkhchy
(Radboud University, FELIX Laboratory, Toernooiveld 7, Nijmegen, Netherlands)
Nikolas Stavrias
(Radboud University, FELIX Laboratory, Toernooiveld 7, Nijmegen, Netherlands)
Viktoria Eless
(Radboud University, FELIX Laboratory, Toernooiveld 7, Nijmegen, Netherlands)
Thorsten Ockelmann
(Department of Physical Chemistry II, Ruhr University Bochum, 44780 Bochum, Germany)
Alejandro Colchero
(Department of Physical Chemistry II, Ruhr University Bochum, 44780 Bochum, Germany)
Claudius Hoberg
(Department of Physical Chemistry II, Ruhr University Bochum, 44780 Bochum, Germany)
Gerhard Schwaab
(Department of Physical Chemistry II, Ruhr University Bochum, 44780 Bochum, Germany)
Teresa Head-Gordon
(Pitzer Center for Theoretical Chemistry, Departments of Chemistry, Chemical and Biomolecular)
Martina Havenith
(Department of Physical Chemistry II, Ruhr University Bochum, 44780 Bochum, Germany)
*Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany's Excellence Strategy – EXC-2033 – Projektnummer 390677874, ERC Advanced Grant 695437. This work is part of the research programme of the Netherlands Organisation for Scientific Research (NWO) and supported by CALIPSOplus (grant agreement no. 730872, EU-H2020). T. H.-G. and L. R. P. thank the U.S. DOE under the Basic Energy Sciences program CPIMS, Contract No. DE-AC02-05CH11231. K. C. B. thanks the California Alliance Postdoctoral Fellowship. T. H.-G. appreciates the support received as a RESOLV Fellow while on sabbatical in Bochum Germany. This research used computational resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, under an ASCR Leadership Computing Challenge (ALCC) award.
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