From the 25th to 30th of January2025, the SPIE Photonics West conference is taking place in San Francisco. In the panel Quantum Effects and Measurement Techniques in Biology and Biophotonics, our head Professor Ilia Solov'yov is presenting our software package MolSpin. Here the abstract on his talk for the interested reader:
Spin-dependent chemical reactions uncover mechanisms of high scientific interest. For example, an external magnetic field can affect the yield of simple radical reactions, such as formic acid formation. Other spin-dependent reactions are also thought to enable migratory birds to sense the Earth's magnetic field. Understanding and describing the dynamics and interactions of spin systems of varying complexity is crucial. Both spin interactions and environmental influences play significant roles, leading to observable experimental effects. The Liouville-Von-Neumann equation is the theoretical framework used to describe these effects, but solving this equation for realistic systems is challenging and often requires supercomputers. To address this, we developed the software package MolSpin, which efficiently solves and investigates spin dynamics for spin chemistry problems. MolSpin can describe spin-dependent reaction mechanisms, the influence of molecular motion, and other perturbations. It is designed for easy implementation of additional tasks, making it suitable for complex spin dynamics problems.