Mihály Kállay

Born August 7, 1974 in Budapest, Hungary.

Professor of Chemistry, Department of Physical Chemistry and Materials Science, Budapest University of Technology and Economics

Email:kallay.mihaly@vbk.bme.hu
Web: external link

Member of IAQMS (2026), Polányi prize of the Hungarian Academy of Sciences (2023), Momentum Research Grant of the Hungarian Academy of Sciences (2013, 2022), Medal of IAQMS (2009), ERC Starting Grant (2008), Bolyai Fellowship of the Hungarian Academy of Sciences (2007), Fellowship of the Hungarian Scientific Research Fund (2004), Pro Scientia Gold Medal (1997)

Author of:

Important Contributions:

• The development of automated programming techniques that are capable of deriving and solving the equations of quantum chemical methods of high complexity. Their application to the implementation of arbitrary single- and multi-reference coupled-cluster (CC) approaches, energy derivatives, and response functions. Development and implementation of high-order perturbative CC methods.
• The development of high-accuracy thermochemistry protocols. The calculation of thermochemical properties of species relevant to combustion and atmospheric chemistry, establishing new reference data and often resulting in the revision of the experimental values.
• The development of efficient and robust reduced-cost and reduced-scaling correlation methods for ground and excited states. The development of integral-direct algorithms for local correlation approaches. A linear-scaling local CC model that enables CC calculations for molecular systems of more than one thousand atoms. Multi-scale local correlation and embedding approaches.
• The development of a perturbative triples correction for explicitly correlated CC singles and doubles. Reduced-cost and linear-scaling explicitly correlated models.