Special Issue on Crystals “First-Principles Simulation—Nano-Theory”

Dear colleagues,

We would cordially invite you to contribute a research article, review, short communication or perspective to the “First-Principles Simulation—Nano-Theory” Special Issue on Crystals.
The submission deadline is 30 December 2020.
Website: https://www.mdpi.com/journal/crystals/special_issues/First-Principles_Nano-Theory

This Special Issue intends to serve as a unique multidisciplinary forum covering broad aspects of the science, technology, and applications of first-principles simulations.

The potential topics include, but are not limited to:

  • New theory of first-principles simulation
  • Development of first-principles calculation code
  • Computer science of first-principles calculation
  • Simulation of molecules, solid, condensed matter, mineral, surface, and nanostructure
  • Simulation of nanodevice
  • Simulation of soft matter
  • Chemical and pharmaceutical application of first-principles simulation

If more than 10 papers are finally published in this Special Issue, we will establish a best paper award in which the selected winner will receive the opportunity to publish a future paper free of charge in our journal.

Best regards,
Dr. Tomoyuki Hamada
Dr. Paolo Restuccia
Guest Editors

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