Nikolas Kaltsoyannis


Personal profile


2015–present: Professor of Computational Chemistry, University of Manchester
2007–2015: Professor of Computational Chemistry, University College London
2003–2007: Reader in Computational Chemistry, University College London
2000–2003: Senior Lecturer, University College London
1994–2000: Lecturer, University College London
1993–1994: NATO/SERC Post-doctoral Fellow, Lawrence Berkeley National Laboratory, Berkeley, California, USA
1992–1993: University Post-doctoral Fellow, The Ohio State University, Columbus, Ohio, USA
1992: D. Phil. in Chemistry, University of Oxford
1989: BA in Chemistry, University of Oxford

Research interests

We use ab initio and density functional quantum chemistry to study the electronic structure and reactivity of molecules and solids drawn from all areas of the periodic table, with particular emphasis on the f block. We have a number of very fruitful collaborations with experimental groups; at the Los Alamos National Laboratory in the USA, and the Universities of Oxford, Edinburgh and California.

Please see the Group's website for further information:

Expertise related to UN Sustainable Development Goals

In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):

  • SDG 7 - Affordable and Clean Energy

Areas of expertise

  • QD Chemistry
  • Computational chemistry
  • Quantum chemistry
  • Actinides
  • f elements
  • Hydrogen storage

Research Beacons, Institutes and Platforms

  • Energy
  • Digital Futures
  • Dalton Nuclear Institute


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Collaborations and top research areas from the last five years

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