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Special issue on Materials on DFT Calculation of ... (No replies)

dceresoli
1 month ago
dceresoli 1 month ago

Dear colleagues,

we'd like to bring your attention to the special issue of Materials on "DFT calculations of Materials Properties": http://www.mdpi.com/journal/materials/special_issues/density_functional_theory

This Special Issue aims to present recent advances in the theory and computational methods of DFT calculation of materials as well as to highlight computational results about the static, dynamical, transport, and reactive properties of materials. It is our pleasure to invite you to submit a manuscript for this Special Issue. Full papers, communications, and reviews are all welcome.

Deadline for submission is 31 December 2018.

Best regards,
Alessandro Ponti, Davide Ceresoli Guest Editors




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Ab initio (from electronic structure) calculation of complex processes in materials