Welcome to the web pages of the Kaltsoyannis research group. Nik Kaltsoyannis is Professor and Head of Computational Chemistry and co-Director of the Centre for Radiochemistry Research at The University of Manchester, UK.

Our work focuses on the computational investigation of the electronic structure and reactivity of molecules and solids from all areas of the periodic table. We employ a variety of quantum chemical techniques based on density functional and ab initio theories. Here you will find information on the Group Members and their projects, and about our Publications. Check out Nik’s prediction of seventeen coordinate actinide compounds (a new world record coordination number):



We are particularly interested in linking our research with experimental studies in order to achieve a more complete understanding than is possible from either approach working in isolation, and on the Collaborative Research Projects tab you will find information on the experimental groups with which we work, as well as some research highlights.

Please also visit Prof Kaltsoyannis’ School of Chemistry web pages.