The site of Dmitry A. Ryndyk

Quantum Transport and Nonequilibrium Phenomena at Nanoscale


Many-body effects  •  Quantum materials  •  Nanoscale devices  •  Molecular nanosystems  •  Multiscale computational platform

  Home   OpenSuite   DFTB+XT       Personal Homepage

 

 

  Links  



From quantum materials to nanoscale devices and life systems


My research interest is focused on development of the theoretical and computational methods for quantum transport at nanosale and application to the following fields.

A) Quantum Materials. The challenging task is calculation of material parameters (mechanical, electrical, thermal, thermoelectrical, magnetic, etc.) from first principles. Especially important is quantum atomistic approach for modeling of new low-dimensional materials (“beyond graphene”).

B) Nanoscale Systems and Devices. New 1-10 nanometer size devices and especially devices based on novel quantum materials, require new computational methods for modeling.

C) Nonequilibrium Molecular Nanosystem. Modern research topics include the real-time modeling of systems in the range from molecular motors to biological systems at microscopic level.

Although the basic physical principles in these fields are well established, one should go far beyond simple models and methods to get relevant results for real systems. On the other hand, it is very promising to have such a “virtual lab” to model new materials and new devices and produce some guides for experiments.


Contact



Dmitry A. Ryndyk
dmitry.ryndyk@bccms.uni-bremen.de


News

 
New book is published
 
 



www.springer.com/de/book/9783319240862

 
     
 
  01.05.2018  
 
Experimental version of the DFTB+XT/CP2K+XT open software suite for nanoscale modeling is available at GitHub. It consists of the CP2K+XT package github.com/dryndyk/cp2kXT.git together with the development version of the DFTB+XT package github.com/dryndyk/dftbXT.git.
 
 
     
  18.01.2018  
 
The first version 1.01 of the DFTB+XT package is presented in January 2018.