Adaptive machine learning framework to accelerate ab initio molecular dynamics-Reference-Cited by-同舟云学术

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Adaptive machine learning framework to accelerate ab initio molecular dynamics

Published:2014-12-23 Issue:16 Volume:115 Page:1074-1083
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Botu Venkatesh¹,Ramprasad Rampi²

Affiliation:

1. Chemical and Biomolecular Engineering; University of Connecticut; Storrs Connecticut 06269

2. Materials Science and Engineering; University of Connecticut; Storrs Connecticut 06269

Funder

Office of Naval Research

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/qua.24836/fullpdf

Reference54 articles.

1. The Stuff of Dreams

2. Rational design of all organic polymer dielectrics

3. Density functional theory in materials science

4. From the computer to the laboratory: materials discovery and design using first-principles calculations

5. Perspective: Fifty years of density-functional theory in chemical physics

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