Zobrazeno 1 - 10
of 79
pro vyhledávání: '"Meißner, Robert H."'
When two electrolyte-immersed electrodes have different temperatures, a voltage $\Delta \psi$ can be measured between them. This electrolyte Seebeck effect is usually explained by cations and anions flowing differently in thermal gradients. However,
Externí odkaz:
http://arxiv.org/abs/2309.07853
Constant potential methods (CPM) enable computationally efficient simulations of the solid-liquid interface at conducting electrodes in molecular dynamics (MD). They have been successfully used, for example, to realistically model the behavior of ion
Externí odkaz:
http://arxiv.org/abs/2203.15461
Osmotic transport in nanoconfined aqueous electrolytes provides new venues for water desalination and "blue energy" harvesting; the osmotic response of nanofluidic systems is controlled by the interfacial structure of water and electrolyte solutions
Externí odkaz:
http://arxiv.org/abs/2109.00043
We present a quantum mechanical / molecular mechanics (QM/MM) to tackle chemical reactions with substantial molecular reorganization. For this, molecular dynamics simulations with smoothly switched interaction models are used to suggest suitable prod
Externí odkaz:
http://arxiv.org/abs/2011.02820
Autor:
Kapil, Venkat, Rossi, Mariana, Marsalek, Ondrej, Petraglia, Riccardo, Litman, Yair, Spura, Thomas, Cheng, Bingqing, Cuzzocrea, Alice, Meißner, Robert H., Wilkins, David M., Juda, Przemyslaw, Bienvenue, Sébastien P., Fang, Wei, Kessler, Jan, Poltavsky, Igor, Vandenbrande, Steven, Wieme, Jelle, Corminboeuf, Clemence, Kühne, Thomas D., Manolopoulos, David E., Markland, Thomas E., Richardson, Jeremy O., Tkatchenko, Alexandre, Tribello, Gareth A., Van Speybroeck, Veronique, Ceriotti, Michele
Progress in the atomic-scale modelling of matter over the past decade has been tremendous. This progress has been brought about by improvements in methods for evaluating interatomic forces that work by either solving the electronic structure problem
Externí odkaz:
http://arxiv.org/abs/1808.03824
Autor:
Sanchez, Juan, Dammann, Lars, Gallardo, Laura, Zhuoqing Li, Fröba, Michael, Meißner, Robert H., Huber, Patrick
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America; 9/17/2024, Vol. 121 Issue 38, p1-10, 15p
Akademický článek
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Autor:
Doblies, Audrius, Feiler, Christian, Würger, Tim, Schill, Eduard, Meißner, Robert H., Fiedler, Bodo
Publikováno v:
In Polymer 14 April 2021 221
Autor:
Feiler, Christian *, Mei, Di, Vaghefinazari, Bahram, Würger, Tim, Meißner, Robert H., Luthringer-Feyerabend, Bérengère J.C., Winkler, David A., Zheludkevich, Mikhail L., Lamaka, Sviatlana V.
Publikováno v:
In Corrosion Science February 2020 163
Autor:
Kapil, Venkat, Rossi, Mariana, Marsalek, Ondrej, Petraglia, Riccardo, Litman, Yair, Spura, Thomas, Cheng, Bingqing, Cuzzocrea, Alice, Meißner, Robert H., Wilkins, David M., Helfrecht, Benjamin A., Juda, Przemysław, Bienvenue, Sébastien P., Fang, Wei, Kessler, Jan, Poltavsky, Igor, Vandenbrande, Steven, Wieme, Jelle, Corminboeuf, Clemence, Kühne, Thomas D., Manolopoulos, David E., Markland, Thomas E., Richardson, Jeremy O., Tkatchenko, Alexandre, Tribello, Gareth A., Van Speybroeck, Veronique, Ceriotti, Michele
Publikováno v:
In Computer Physics Communications March 2019 236:214-223