Zobrazeno 1 - 10
of 21
pro vyhledávání: '"Philip Loche"'
Autor:
Philip Loche, Alexander Goscinski, Guillaume Fraux, Victor Paul Principe, Benjamin Aaron Helfrecht, Sergei Kliavinek, Michele Ceriotti, Rose Kathleen Cersonsky
Publikováno v:
Open Research Europe, Vol 3 (2023)
Easy-to-use libraries such as scikit-learn have accelerated the adoption and application of machine learning (ML) workflows and data-driven methods. While many of the algorithms implemented in these libraries originated in specific scientific fields,
Externí odkaz:
https://doaj.org/article/0fba537f22354630beea592541b90f61
Publikováno v:
Communications Chemistry, Vol 5, Iss 1, Pp 1-8 (2022)
Halide ions are present in the Earth’s atmosphere, but for the important case of fully or partially saturated water vapor it is not clear whether these ions are hydrated, i.e. surrounded by an adsorbed water layer, or not. Here, the authors combine
Externí odkaz:
https://doaj.org/article/610168ab07e44d65adef6d7d04a3a035
Publikováno v:
The Journal of chemical physics. 157(24)
Although conceptually simple, the air-water interface displays rich behavior and is subject to intense experimental and theoretical investigations. Different definitions of the electrostatic surface potential as well as different calculation methods,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::69d4c7c4de093ea1288cbe02d99d74c7
https://pubmed.ncbi.nlm.nih.gov/36586978
https://pubmed.ncbi.nlm.nih.gov/36586978
Publikováno v:
The Journal of Physical Chemistry. B
The poor performance of many existing nonpolarizable ion force fields is typically blamed on either the lack of explicit polarizability, the absence of charge transfer, or the use of unreduced Coulomb interactions. However, this analysis disregards t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8f0982367dadad7f303935866318d02e
https://doi.org/10.1021/acs.jpcb.1c05303
https://doi.org/10.1021/acs.jpcb.1c05303
Autor:
Douwe Jan Bonthuis, Philip Loche, Roland R. Netz, Bernhard G. Mitterwallner, Yuki Uematsu, Majid Rezaei
Publikováno v:
The Journal of Physical Chemistry. B
The dielectric constant and the viscosity of water at the interface of hydrophilic surfaces differ from their bulk values, and it has been proposed that the deviation is caused by the strong electric field and the high ion concentration in the interf
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7fc6908bb9949b564e5b55848ce02c92
https://doi.org/10.1021/acs.jpcb.0c11280
https://doi.org/10.1021/acs.jpcb.0c11280
Autor:
Alexander Goscinski, Victor Paul Principe, Guillaume Fraux, Sergei Kliavinek, Benjamin Aaron Helfrecht, Philip Loche, Michele Ceriotti, Rose Kathleen Cersonsky
Publikováno v:
Open Research Europe
Easy-to-use libraries such as scikit-learn have accelerated the adoption and application of machine learning (ML) workflows and data-driven methods. While many of the algorithms implemented in these libraries originated in specific scientific fields,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3b7f5544e04fc3f7bb02a867f7d855a1
https://doi.org/10.12688/openreseurope.15789.1
https://doi.org/10.12688/openreseurope.15789.1
Autor:
Nino Hatter, Wolfgang Kuch, Lalminthang Kipgen, Matthias Bernien, Md. Ehesan Ali, C. F. Hermanns, Philip Loche, Fabian Nickel, Katharina J. Franke, Peter M. Oppeneer, Lucas M. Arruda, Timo Bißwanger, Benjamin W. Heinrich
Publikováno v:
Physical Chemistry Chemical Physics. 22:12688-12696
Porphyrin molecules are particularly interesting candidates for spintronic applications due to their bonding flexibility, which allows to modify their properties substantially by the addition or transformation of ligands. Here, we investigate the ele
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7d5991f82e69f426990482bb003f1adc
https://doi.org/10.1039/d0cp00854k
https://doi.org/10.1039/d0cp00854k
Autor:
Philip Loche, Laura Scalfi, Mustakim Ali Amu, Otto Schullian, Douwe J. Bonthuis, Benjamin Rotenberg, Roland R. Netz
Publikováno v:
The Journal of Chemical Physics. 157:094707
Using classical molecular dynamics simulations, we investigate the dielectric properties at interfaces of water with graphene, graphite, hexane, and water vapor. For graphite, we compare metallic and nonmetallic versions. At the vapor–liquid water
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::14a658605d6ef0d9817f49b70703794d
https://doi.org/10.1063/5.0101509
https://doi.org/10.1063/5.0101509
Autor:
Hossam Elgabarty, Roland R. Netz, Tobias Kampfrath, Mohsen Sajadi, Douwe Jan Bonthuis, Martin Wolf, Vasileios Balos, Philip Loche, Thomas D. Kühne, Naveen Kumar Kaliannan
Publikováno v:
Terahertz Emitters, Receivers, and Applications XII.
In this work, we perform Terahertz (THz) Kerr Effect (TKE) experiments on several types of molecular liquids with dissolved iodide anions. We couple high intensity single-cycle THz pulses to the re-orientational motions of the aforementioned liquids
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::611ded70aecc720b245e81650c6da87e
https://doi.org/10.1117/12.2594143
https://doi.org/10.1117/12.2594143
Autor:
Gerard Meijer, R. Kramer Campen, Grazia Gonella, Marc T. M. Koper, Ellen H. G. Backus, Bernd Winter, Angelika Kühnle, Alexander Schlaich, Ian T. McCrum, Roland R. Netz, Martin Wolf, Yuki Nagata, Philip Loche, Mischa Bonn, Douwe Jan Bonthuis
Publikováno v:
Nature Reviews Chemistry, 5, 466–485. NATURE RESEARCH
The ubiquity of aqueous solutions in contact with charged surfaces and the realization that the molecular-level details of water–surface interactions often determine interfacial functions and properties relevant in many natural processes have led t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::33eb3c7ae6fc2569b58c32b49d9b3a16
http://hdl.handle.net/1887/3210529
http://hdl.handle.net/1887/3210529
