Can Ice Be Described from First Principles?

Natural Sciences
Illustration of a computer chip creationg models of water molecules and ice structures. Illustration by Camilla K. Elmar.

Principal investigators

Sigbjørn Løland Bore

Postdoctoral Fellow
University of Oslo (UiO)
Year at CAS


Ice plays a crucial role on Earth, from its presence in the polar regions to its impact on global climate and sea levels. First principle calculations, which use fundamental principles of physics to model the behavior of atoms and molecules, are commonly used to study ice. However, these calculations do not accurately predict the temperatures and pressures at which ice melts. In this project, I will develop new empirical corrections to first principle calculations, which aim to bridge the gap between what is experimentally known about ice and what is theoretically predicted. This will enable reliable computational microscopy of ice under conditions inaccessible by experiments.


Meet Sigbjørn Løland Bore, one of the two Young CAS PIs for August 2023 to June 2025! Bore, a postdoctoral associate at the University of Oslo, will lead the Young CAS project ‘Can Ice be Described from First Principles?’.