Atomistic Simulations: The Driving Force Behind Modern Thermodynamic Research

René Spencer Chatwell, Robin Fingerhut, Gabriela Guevara-Carrion, Matthias Heinen, Timon Hitz, Y. Mauricio Muñoz-Muñoz, Claus-Dieter Munz and Jadran Vrabec ()
Additional contact information
René Spencer Chatwell: Technische Universität Berlin, Thermodynamik und Thermische Verfahrenstechnik
Robin Fingerhut: Technische Universität Berlin, Thermodynamik und Thermische Verfahrenstechnik
Gabriela Guevara-Carrion: Technische Universität Berlin, Thermodynamik und Thermische Verfahrenstechnik
Matthias Heinen: Technische Universität Berlin, Thermodynamik und Thermische Verfahrenstechnik
Timon Hitz: Universität Stuttgart, Institut für Aerodynamik und Gasdynamik (IAG)
Y. Mauricio Muñoz-Muñoz: Universität Paderborn
Claus-Dieter Munz: Universität Stuttgart, Institut für Aerodynamik und Gasdynamik (IAG)
Jadran Vrabec: Technische Universität Berlin, Thermodynamik und Thermische Verfahrenstechnik

A chapter in High Performance Computing in Science and Engineering '19, 2021, pp 569-581 from Springer

Abstract: Abstract We are outlining our most recent findings, covering Kirkwood-Buff integration in ternary mixtures, transport diffusion of a diluted component in supercritical carbon dioxide, molecular dynamics simulations of the classical Riemann problem and the development of highly accurate force fields for aqueous mixtures with alcohols, that were made possible by computationally demanding atomistic simulations.

Date: 2021
References: Add references at CitEc
Citations:

There are no downloads for this item, see the EconPapers FAQ for hints about obtaining it.

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-030-66792-4_38

Ordering information: This item can be ordered from
http://www.springer.com/9783030667924

DOI: 10.1007/978-3-030-66792-4_38

Access Statistics for this chapter

More chapters in Springer Books from Springer
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().