New papers from the Truhlar group
On December 15th, Prof. Don Truhlar gave an invited talk titled “New Methods and Concepts for Nonadiabatic Chemical Dynamics" at Pacifichem in Honolulu, Hawaii. Since then, the Truhlar group has published several papers:
- Q. Meng, Y. Shu, Z. Varga, D. Zhang, and Donald G. Truhlar, “Automated Learning of a Dense Manifold of Electronic States and Electronic Energy Transfer and Reactions in Singlet O Collisions with N2”, Research, 9: 0992 (2026)
- B. Jangid, M. Hennefarth, M. Hermes, D. G. Truhlar, and L. Gagliardi, "Linearized Pair-Density Functional Theory with Spin-Orbit Coupling", Journal of Chemical Theory and Computation 22: 318-333 (2026)
- M. Mansoori Kermani, M. Neurock, and D. G. Truhlar, “Hydrogenation of Ethylene over a Molybdenum–Sulfur Complex Supported on UiO-66”, Physical Chemistry Chemical Physics 28: 1504-1514 (2026)
- R. Lei, Y. Shu, X. Zhao, D. G. Truhlar, and X. Xu, “Nonadiabatic Direct Dynamics Simulation of Photoinduced Isomerization of Cubic Hydrogen Silsesquioxane”, Journal of Chemical Theory and Computation, 22: 120-134 (2026)
- B. Liu, B. Dong, H. Wang, S. Ruan, Q. Zhu, W. Chen, L. Wang, L. Zhu, L. Xing, D. G. Truhlar, and Z. Wang, “Aldehyde Cool-Flame Chemistry Explains the Missing Source of Organic Acids”, Nature Communications, (2025)
- C. Zhang, R. Lu, Q. Sun, Y. Mao, T. Söhnel, Y. Zhao, D. G. Truhlar, and Z. Wang, "Finding the Pareto Front for High-Entropy-Alloy Catalysts”, Chemical Science (2026)
Congratulations to the Truhlar Group, and happy reading!