Andreas Hermann

My research is in the field of computational materials science: using first-principles, parameter-free computing methods to predict and understand properties of materials - such as their stability, elastic, electronic, and optical attributes. Focal points of my research are the role of relativistic effects in solids; the properties of ice and water-rich solid compounds; and combining approaches from quantum chemistry and solid state theory for more accurate descriptions of extended systems. As member of Edinburgh's Centre for Science under Extreme Conditions, a part of my research focuses on the occurrence of new, interesting phases of various materials under conditions of extreme compression and high temperatures. I am interested in the fundamental changes in physics and chemistry under pressure, as well as exploring potential new materials synthesis routes involving high pressure, and the implications of extreme conditions for geo- and planetary science.

[2026] High-throughput structure searches for ambient-pressure superconductors in boron-carbon clathrates [2026] High-Temperature Superconductivity in M2BH6 Hydrides under Near Ambient Pressure [2025] Close-packed atomic bromine up to 230 GPa [2025] Tadah! a Swiss army knife for developing and deployment of machine learning interatomic potentials [2025] Distinction between ice phases VII, VIII, and X