Non-equilibrium Thermodynamics and Monte Carlo for Electronic and Electrochemical Processes
A special issue of Entropy (ISSN 1099-4300). This special issue belongs to the section "Statistical Physics".
Deadline for manuscript submissions: closed (20 December 2021) | Viewed by 5515
Special Issue Editor
Special Issue Information
Dear Colleagues,
Understanding the dynamics of electronic and electrochemical processes is crucial for the development of highly efficient energy conversion devices. Going towards the nanoscale, local fluctuations in the system as well as energy relaxation processes on ultrafast timescales become of high relevance to optimize the performance of energy conversion devices and to fully understand the physics of energy conversion.
Computer models provide a complementary approach to experiments to study such out-ofequilibrium dynamics on arbitrary time and length scales. Especially Monte Carlo or master equation methods belong to most powerful methods to capture the out-of-equilibrium dynamics of electronic and electrochemical processes.
The scope of this Special Issue is to cover numerical methods for the study of out-ofequilibrium dynamics of electronic and electrochemical processes. Reviews on well-established models (e.g. Monte Carlo, master equation, Langevin dynamics) as well as novel approaches (e.g. Machine Learning, non-equilibrium thermodynamics, coarse-graining) will be featured to provide a broad scope of numerical methods for the study of out-of-equilibrium electronic and electrochemical processes.
Prof. Dr. Alessio Gagliardi
Guest Editor
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Keywords
- out-of-equilibrium
- electrochemical reaction
- molecular electronics
- Monte Carlo
- stochastic thermodynamics
- exciton dynamics
- charge dynamics
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