Inside Cover, Volume 113, Issue 1
Article first published online: 22 NOV 2012
Copyright © 2012 Wiley Periodicals, Inc.
International Journal of Quantum Chemistry
Volume 113, Issue 1, pages iii–iv, 5 January 2013
How to Cite
(2013), Inside Cover, Volume 113, Issue 1. Int. J. Quantum Chem., 113: iii–iv. doi: 10.1002/qua.24366
- Issue published online: 22 NOV 2012
- Article first published online: 22 NOV 2012
- Cited By
Smart algorithm optimization, careful selection of approximations and basis sets, and the use of specialized hardware make it possible to achieve extremely fast speeds for quantum chemical calculations-with results in “real time,” on a time scale that is compatible with the speed of human analytical process. Such fast calculation rate allows new concepts in quantum chemistry, like the haptic exploration of chemical reactivity, to be implemented and explored. The Perspective Article by Markus Reiher and Moritz Haag on page 8 explores the feasibility of real-time quantum chemistry and presents the proof-of-concept for the direct haptic quantum chemistry that is built upon it.