Difference between revisions of "Biosystems topical meeting"
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- Angel : Progress report on copper alloys
Revision as of 23:11, 23 March 2021
As the name suggests, in this topical meeting we discuss biologically relevant systems in solution. Examples:
- solvent mixtures
We will also discuss methodological approaches, e.g.,
- ab initio (DFT) simulations
- polarizable and reactive force fields
usefulness, applicability, and validity for the investigated problems.
If you have thought about using a certain method or heard something about a new method that could be useful to you or others, then you are most welcome to share in this meeting.
Topics of meeting:
- Angel Diaz: Progress report on copper alloys
- Henrik Jager: Update on his master thesis on thermodynamics integration
- Takeshi Kobayashi: Surface tension calculations of the Heptane-IL interface
Maofeng Dou : Find universal descriptors for binding energy estimation in Li-ion and Li-metal battery. https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.113.028304
Maofeng Dou : Graph dynamical network for atomic scale dynamic. https://www.nature.com/articles/s41467-019-10663-6
Johannes Zeeman : New results on the long range screening in concentrated electrolytes.