RxnNet

Copyright © 2024, DTU - Technical University of Denmark

This code repository was created by Rasmus Fromsejer (Technical University of Denmark) to supplement the research paper "Accurate Formation Enthalpies of Solids Using Reaction Networks" by Rasmus Fromsejer, Bjørn Maribo-Mogensen, Georgios Kontogeorgis and Xiaodong Liang in npj computational materials.

See README in repository for information about use and more.

CHANGELOG:

• In this version of the repository the empty reaction and database files were fixed.
• The formula for the standard deviation mistakenly used a degree of freedom of 1 in the previous version of the code which has now been changed to 0 in order to reflect the procedure in the paper (which was used for the results with std. dev. presented in the paper).