The Journal of Chemical Theory and Computation publishes papers reporting new theories, methodology, and/or important applications in quantum electronic structure, molecular dynamics, and statistical mechanics. Specific topics include advances in or applications of ab initio quantum mechanics, density functional theory, design and properties of new materials, surface science, Monte Carlo simulations, solvation models, QM/MM calculations, biomolecular structure prediction, and molecular dynamics in the broadest sense including gas phase dynamics, ab initio dynamics, biomolecular dynamics, and protein folding.
| YEAR | Impact Factor |
|---|---|
| 2024-25 | 5.5 |
| 2023 | 5.7 |
| 2022 | 5.5 |
| 2021 | 6.578 |
Journal of Chemical Theory and Computation, 1549-9618, AMER CHEMICAL SOC, Chemistry,Computer Science.