Plenary Speakers

The 2015 AMMA medalist, Professor Julian Gale

Professor Julian Gale obtained his BA from the University of Oxford in Natural Sciences (Chemistry), where he continued on to study for a DPhil in the Department of Chemical Crystallography. After a postdoctoral position at the Royal Institution of Great Britain he moved to Imperial College London as a Royal Society University Research Fellow and subsequently Reader in Theoretical and Computational Chemistry. In 2003 he moved to his current location, Curtin University, as a Premier’s Research Fellow and now holds the position of John Curtin Distinguished Professor of Computational Chemistry. Research interests include the development and application of computational techniques to problems in areas including materials science, geochemistry and mineralogy.


Professor Jonathan W. Essex; Chairman, Institute for Complex Systems Simulation (ICSS); Co-Director, EPSRC Centre for Doctoral Training in Theory and Modelling in Chemical Sciences; School of Chemistry; University of Southampton.

Prof. Dr. Thomas Frauenheim; Universität Bremen ; Bremen Center for Computational Materials Science.


Anna Krylov is a Professor of Chemistry at the University of Southern California. She received her M.Sc. in Chemistry from the Moscow State University and her Ph.D. - from the Hebrew University of Jerusalem (1996); as a postdoc, she worked with Prof. Martin Head-Gordon at Berkeley. The main focus of Anna Krylov’s research is in electronic structure theory and ab initio methodology targeting open-shell and electronically excited species. Krylov’s vision is to develop and devise accurate computational tools for treatment of complicated open-shell electronic structures ranging from bound and unbound excited states to complicated polyradical species in the gas phase and in complex environments like solutions, molecular solids, and proteins. Her method-development work is based on coupled-cluster and equation-of-motion methods, or, more generally, robust black-box approaches formulated within single-reference formalism. Krylov has received WATOC’s Dirac Medal (2007) and the Theoretical Chemistry Award from the Physical Chemistry division of ACS (2012). She is a Fellow of American Physical Society and of the American Association of Advancement of Science. Krylov is a member of the Board of Directors of Q-Chem Inc, one the world’s leading ab initio quantum chemistry programs. Home pages:



Prof. Thierry Langer holds an M.S. degree in Pharmacy and a Ph.D. in Medicinal Chemistry from the University of Vienna, Austria. He began his career at Leopold-Franzens-University of Innsbruck in 1992 after completing a post doctoral fellowship at the Université Louis Pasteur, Strasbourg, France with Prof. C.-G. Wermuth. His research interests range from medicinal chemistry, including theoretical pharmaceutical chemistry, drug design, and pharmacophore modeling as well as QSAR and 3D-QSAR molecular modeling techniques. His expertise and scientific work, which by now has culminated in more than 170 original articles, book chapters, and invited reviews, already in 2003 led to the founding of the spin-off company Inte:Ligand GmbH, a software development and consulting organization, in which he also was CEO from 2003 to 2008. Before joining the University of Vienna in 2013, from 2008 on he was CEO of Prestwick Chemical in Strasbourg, France.




Irene Yarovsky is currently Professor of Theoretical Physics and Program Leader for Biophysics and Bioengineering of the Health Innovations Research Institute of RMIT University, Melbourne, Australia. She completed her PhD in Monash University in 1994 and then joined BHP Research Laboratory where she applied computational modelling to help design advanced industrial materials. Following her industry appointment Irene joined RMIT University where from 2000 she has been leading a research group in theory and simulation of materials with a strong application focus, ranging from industrial to bio-materials and novel nanomaterials. At present, she is particularly interested in studying the interface between biological systems and nanomaterials as they interact in the living organisms, the environment and novel nano-bio devices for biomedical applications.  For current projects and group see the website:;ID=eu0rucu1yqkj


Keynote Speakers

Richard Henchman received his BSc Honours degree from the University of Sydney and his PhD in Physical Chemistry from the University of Southampton. He undertook postdoctoral research at the University of California, San Diego as part of the Howard Hughes Medical Institute before starting his independent research career at the University of Manchester where he is now a Senior Lecturer. He has held the positions of Humboldt Fellow at the Heidelberg Institute of Theoretical Studies, Lady Davis Visiting Professor at the Hebrew University in Jerusalem, and Visiting Scientist at the Indian Institute of Sciences in Bangalore. His research focuses on the development of new statistical mechanical theory to calculate the entropy and free energy from computer simulation of systems of arbitrary complexity.