Journal of Chemical Theory and Computation (JCTC)
- 2019 Impact Factor: 5.011
- 2019 Total Citations: 33,459
This a popular journal from the American Chemical Society (ACS) that focuses exclusively on new developments in electronic structure theory, molecular dynamics, and statistical mechanics; the journal doesn't accept papers "...that are straightforward applications of known methods". So this covers advances in theory and methods, but not just papers that happened to apply DFT.
Journal of Chemical Information and Modeling (JCIM)
- 2019 Impact Factor: 4.549
- 2019 Total Citations: 19,075
Another ACS journal which focuses on cheminformatics, applications of machine learning, computational interfaces, and chemical representations. You will find some electronic structure/MD papers here as well, but the emphasis of these papers will be different than those in JCTC.