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
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.
TraNaS OpenSuite is the integrated open software suite for quantum nanoscale modeling.
DFTB+XT/TraNaS is the core of TraNaS OpenSuite and stand-alone open software package for model and atomistic quantum transport at nanoscale, many-body nonequilibrium phenomena, material & device modeling.
Dmitry A. Ryndyk