activity
20122026
most citedA parallel multistate framework for atomistic non-equilibrium reaction dynamics of solutes in strongly interacting organic solvents

49 citations · 55 across the 5 of their papers we have counts for

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Showing 2026Show all

2 papers · 1 filter

physics.chem-ph2026★ 1 cited

Limitations of MRSF-TDDFT for Applications in Photochemistry

Jiří Janoš, Andrew J. Orr-Ewing, Basile F. E. Curchod +1

Mixed-reference spin-flip time-dependent density functional theory (MRSF-TDDFT) has recently emerged as an attractive electronic-structure method for studying photochemical process…

physics.chem-ph2026

Perspective on a challenge: predicting the photochemistry of cyclobutanone

Jiří Janoš, Nanna Holmgaard List, Andrew J. Orr-Ewing +37

This Perspective is part of a Special Topic that explored the maturity of nonadiabatic molecular dynamics for predicting photochemical processes. In 2023, a prediction challenge wa…