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.

The medalist is selected by the Board through an electronic ballot. WATOC members can suggest candidates by email to the President.

Medal winners

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.
Last modified 26 September 2017