Batch active learning for accelerating the development of interatomic potentials Academic Article

authors

• Arroyave, Raymundo
• Qian, Xiaofeng
• Qian, Xiaoning

published proceedings

• COMPUTATIONAL MATERIALS SCIENCE

author list (cited authors)

• Wilson, N., Willhelm, D., Qian, X., Arroyave, R., & Qian, X.

citation count

• 4

complete list of authors

• Wilson, Nathan||Willhelm, Daniel||Qian, Xiaoning||Arroyave, Raymundo||Qian, Xiaofeng

publication date

• June 2022

publisher

• Elsevier  Publisher

published in

• COMPUTATIONAL MATERIALS SCIENCE  Journal

keywords

• Active Learning
• Density Functional Theory
• Interatomic Potentials
• Molecular Dynamics

Digital Object Identifier (DOI)

• 10.1016/j.commatsci.2022.111330

start page

• 111330

end page

• 111330

volume

• 208

URL

• http://dx.doi.org/10.1016/j.commatsci.2022.111330

user-defined tag

• 7 Affordable and Clean Energy