- Front Matter
1
- 10.1088/0953-8984/22/38/380301
Selected contributions from the 3rd Theory Meets Industry International Workshop, TMI2009 (Nagoya, Japan, 11–13 November 2009)
- Sep 02, 2010
- Journal of Physics: Condensed Matter
- Isao Tanaka + 3 more +3
The structures, physicochemical and thermodynamic properties of materials are becoming increasingly amenable to treatment by first-principles (ab initio) quantum mechanical simulations. Calculations containing a few hundred atoms are now routine, thanks to improvements in computer technology and computational techniques. Schemes to determine electronic structures more accurately and to treat more complex systems continue to be developed. A growing number of scientists and engineers are becoming aware of the power of these approaches. By applying these new computational tools, materials science and technology is expected to enter a new era of accelerated progress and efficiency.
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