Difference between revisions of "Biosystems topical meeting"

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(Created page with "As the name suggests, in this topical meeting we discuss biologically relevant systems in solution. Examples: * DNA * osmolytes * solvent mixtures We will also discuss metho...")
 
 
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* polarizable and reactive force fields
 
* polarizable and reactive force fields
  
usefulness, applicability, and validity for the investigated problems.
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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:'''
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 +
12.11.2019
 +
 
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Johannes Zeeman : New results on the long range screening in concentrated electrolytes.
 +
 
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3.12.2019
 +
 
 +
Maofeng Dou : Find universal descriptors for binding energy estimation in Li-ion and Li-metal battery.
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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

Latest revision as of 10:41, 2 December 2019

As the name suggests, in this topical meeting we discuss biologically relevant systems in solution. Examples:

  • DNA
  • osmolytes
  • 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:

12.11.2019

Johannes Zeeman : New results on the long range screening in concentrated electrolytes.

3.12.2019

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