3 papers
cond-mat.mtrl-sci2026
First-principles cumulant approach to the vibronic structure of spin defects
Jinsoo Park, Yu Jin, Arpan Kundu +2
Color centers in wide-band-gap semiconductors are leading platforms for solid-state quantum technologies, yet a quantitative description of their vibronic structure has remained el…
physics.chem-ph2026
RLEASE: Reinforcement Learning Efficient Active Space Engine
Etinosa Osaro, Abhishek Mitra, Andrew J. Jenkins +6
Selecting the active space for multireference electronic-structure calculations is a long-standing bottleneck that often requires expert chemical intuition and costly trial-and-err…
physics.chem-ph2025
Defects at Play: Shaping the Photophysics and Photochemistry of Ice
Marta Monti, Yu Jin, Gonzalo DÃaz Mirón +4
The mechanisms by which light interacts with ice and the impact of photo-induced reactions are central to our understanding of environmental, atmospheric and astrophysical processe…