Tensorial Properties via the Neuroevolution Potential Framework: Fast Simulation of Infrared and Raman Spectra
Journal article, 2023
Author
Nan Xu
Institute of Zhejiang University-Quzhou
College of Chemical and Biological Engineering, Zhejiang University
Petter Rosander
Chalmers, Physics, Condensed Matter and Materials Theory
Christian Schäfer
Chalmers, Physics, Condensed Matter and Materials Theory
Eric Lindgren
Chalmers, Physics, Condensed Matter and Materials Theory
Nicklas Österbacka
Chalmers, Physics, Condensed Matter and Materials Theory
Mandi Fang
Institute of Zhejiang University-Quzhou
College of Chemical and Biological Engineering, Zhejiang University
Wei Chen
Institute of Process Engineering Chinese Academy of Sciences
Yi He
College of Chemical and Biological Engineering, Zhejiang University
Institute of Zhejiang University-Quzhou
UW College of Engineering
Zheyong Fan
Bohai University
Paul Erhart
Chalmers, Physics, Condensed Matter and Materials Theory
Journal of Chemical Theory and Computation
1549-9618 (ISSN) 1549-9626 (eISSN)
Vol. In PressSubject Categories
Theoretical Chemistry
DOI
10.1021/acs.jctc.3c01343