Abstract
1 European Centre for Theoretical Studies in Nuclear Physics and Related Areas (ECT*), Bruno Kessler Foundation, Trento, Italy, 2 Faculty of Mathematics and Physics, Charles University in Prague, Prague, Czech Republic, 3 Department of Civil, Environmental and Mechanical Engineering, University of Trento, Trento, Italy, 4 School of Engineering and Materials Science, Queen Mary University of London, London, UK, 5 Center for Materials and Microsystems, Bruno Kessler Foundation, Trento, Italy
Highlights
Computer simulations, based on ab initio, semi-empirical, or continuum approaches, are a widespread tool for benchmarking experimental measurements in many areas of engineering, physics, chemistry, and, more recently, biology
Improved algorithms and increased computational power have widened the areas of application of these computational methods to materials of technological interest, allowing unprecedented access to the investigation of their electronic, optical, thermodynamical, and mechanical properties
On the one hand, ab initio methods, such as density functional theory, have been used to investigate accurately the nanoscale behavior of crystalline materials starting from the first-principles simulation of the electronic motion
Summary
Computer simulations, based on ab initio, semi-empirical, or continuum approaches, are a widespread tool for benchmarking experimental measurements in many areas of engineering, physics, chemistry, and, more recently, biology. Editorial: New Frontiers in Multiscale Modelling of advanced Materials *Correspondence: Simone Taioli taioli@ectstar.eu; Maurizio Dapor dapor@fbk.eu; Nicola M.
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