The Dirac medal is awarded each year to one outstanding theoretical and computational chemist under the age of 40. To fulfil the age requirement in a given year, nominees must be less than 40 years old at the beginning of that year.
| 2024 |
Alexander Sokolov |
For developing excited-state electronic structure theories, including linear-response density cumulant, periodic and multireference algebraic diagrammatic construction, and spin-orbit N-electron valence perturbation approaches. |
| 2023 |
Thomas Jagau |
For his development of theoretical framework and robust many-body methods for treating resonances using non-Hermitian quantum mechanics, coupled-cluster and equation-of-motion coupled-cluster approaches. |
| 2022 |
Katharina Boguslawski |
For the development of new quantum chemistry methods for ground and excited states of strongly and weakly correlated systems based on tensor-network states approaches like DMRG. |
| 2021 |
Edit Matyus |
For developing new methods to study quantum dynamics of nuclear motion in polyatomic molecules and for applying these methods to predict rotation-vibration-tunneling spectra of molecules and molecular clusters. |
| 2020 |
Alexandre Tkatchenko |
For his development of dispersion and non-additive dispersion models that have revolutionized accuracy of approximate DFT calculations of materials and complex molecular systems |
| 2019 |
Satoshi Maeda |
For his development of automatic search methods for reaction pathways on single and multiple potential surfaces and their application to various chemical reactions |
| 2018 |
Erin Johnson |
For fundamental contributions to Density Functional Theory, especially the theory of dispersion interactions, and wide applications to organic, inorganic, and materials chemistry. |
| 2017 |
Francesco Evangelista |
For his work on advanced state-specific multireference coupled cluster theory, particularly by formulating novel perturbative corrections and investigating the effects of higher-order excitations. |
2016 |
Johannes Neugebauer |
For his contributions to subsystem density functional theory and embedding methods covering concepts, implementation, and applications in spectroscopy, photochemistry, and photosynthesis. |
| 2015 |
Edward Valeev |
For his contributions to the development of explicitly correlated R12 and F12 methods including a practical MRCI-R12 implementation. |
| 2014 |
Denis Jacquemin |
For his advances in the simulation of physical properties, notably of excited states, of solvated dyes and photochromes with near-chemical accurary. |
| 2013 |
Filipp Furche |
For his developments in time-dependent density functional theory and its application to photochemistry, and his contributions to the random-phase approximation for small bandgap systems. |
| 2012 |
Paul Ayers |
For his numerous mathematical and computational insights in density functional theory, including its application to the theory of chemical reactivity. |
| 2011 |
Leticia Gonzalez |
For her outstanding contributions to the combination of accurate quantum chemical methods for electronic excited states with quantum reaction dynamics to control chemical reactions. |
| 2010 |
Daniel Crawford |
For a range of outstanding advances in theoretical chemistry, including reduced-scaling coupled-cluster methods for computing optical rotation and CD spectra of large chiral molecules. |
| 2009 |
Jeremy Harvey |
For his outstanding work on the chemical reactivity of transition metal compounds, the understanding of organometallic catalysis, and the use of density functional theory for transition metal elements. |
| 2008 |
Kenneth Ruud |
For his outstanding work on the development of ab initio methods for the calculation of molecular properties involving external sources of magnetic or electric fields. |
| 2007 |
Anna Krylov |
For her outstanding research on new methods in electronic structure theory for the description of bond-breaking, in particular the spin-flip method. |
| 2006 |
Lucas Visscher |
For his outstanding achievements in relativistic quantum chemistry. |
| 2005 |
Ursula Röthlisberger |
For her research on the Car-Parrinello simulation of chemical and biochemical systems, typified by studies on chiral Pd(II) chlorosilyl complexes. |
| 2004 |
Jan Martin |
For the development and application of accurate methods for the prediction of thermochemical quantities, and for important collaborations with his experimental biochemistry colleagues. |
| 2003 |
Peter Schreiner |
For outstanding applications of quantum chemistry to physical organic chemistry. |
| 2002 |
Jerzy Cioslowski |
For invaluable contributions to the study of fullerenes and to the understanding of the chemical bond. |
| 2001 |
Martin Kaupp |
For his application of electronic structure theory to NMR, especially involving heavier elements. |
| 2000 |
Jiali Gao |
For the development of methods incorporating both quantum mechanics and molecular mechanics. |
| 1999 |
Peter Gill |
For his pioneering contributions to the efficient calculation of Coulomb, exchange, and correlation energies in density functional and wave-function based calculations. |
| 1998 |
Timothy J. Lee |
For his significant contributions in the development of ab initio quantum chemistry methods and their application to important problems in atmospheric chemistry and theoretical spectroscopy. |
