2 papers
quant-ph2026
State-Averaged Quantum Algorithms for Multiconfigurational Surface Chemistry: A Benchmark on Rh@TiO2(110)
Ernst Dennis Lægteskov Binau Larsson, Erik Kjellgren, Peter Reinholdt +1
Accurate modeling of surface catalytic processes often requires methods capable of describing strong correlation, charge transfer, and multiple closely lying electronic states. Whi…
physics.chem-ph2026
Efficient Calculation of Absorption Spectra of Platinum Complexes Used as Luminescent Probes for Cancer Detection
Lena T. T. Nguyen, Ernst D. Larsson, Kajsa M. F. Niklasson +3
Despite major advances in oncology, many chemotherapeutic agents still cause severe side effects that reduce quality of life, motivating new approaches for early detection and targ…