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The Matter Simulation (R)evolution

Aspuru-Guzik, Alan (author)
Harvard Univ, Dept Chem & Chem Biol, Cambridge, MA 02138 USA.;Canadian Inst Adv Res CIFAR, Toronto, ON M5G 1Z8, Canada.
Lindh, Roland, 1958- (author)
Uppsala universitet,Teoretisk kemi,Uppsala Univ, Theoret Chem Programme, Dept CUppsala Univ, Uppsala Ctr Computat Chem UC3, Box 518, S-75120 Uppsala, Sweden.
Reiher, Markus (author)
Swiss Fed Inst Technol, Phys Chem Lab, Vladimir Prelog Weg 2, CH-8093 Zurich, Switzerland.
Harvard Univ, Dept Chem & Chem Biol, Cambridge, MA 02138 USA;Canadian Inst Adv Res CIFAR, Toronto, ON M5G 1Z8, Canada. Teoretisk kemi (creator_code:org_t)
2018-02-06
2018
English.
In: ACS CENTRAL SCIENCE. - : American Chemical Society (ACS). - 2374-7943 .- 2374-7951. ; 4:2, s. 144-152
  • Journal article (peer-reviewed)
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  • To date, the program for the development of methods and models for atomistic and continuum simulation directed toward chemicals and materials has reached an incredible degree of sophistication and maturity. Currently, one can witness an increasingly rapid emergence of advances in computing, artificial intelligence, and robotics. This drives us to consider the future of computer simulation of matter from the molecular to the human length and time scales in a radical way that deliberately dares to go beyond the foreseeable next steps in any given discipline. This perspective article presents a view on this future development that we believe is likely to become a reality during our lifetime.

Subject headings

NATURVETENSKAP  -- Kemi -- Materialkemi (hsv//swe)
NATURAL SCIENCES  -- Chemical Sciences -- Materials Chemistry (hsv//eng)

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