Keynote Speaker: Prof. Krishnan Raghavachari

Prof. Krishnan Rhagavachari is part of the Computational Quantum Chemistry and Physical Chemistry, Materials Chemistry section at Indiana University in Bloomington. His research interest focuses on new developments in electronic structure theory along with challenging applications to investigate the structures and properties of molecules and materials. He is one of the main contributors to the Gaussian program package. He became a Fellow of the American Physical Society in 2001 and was elected as a Fellow of the Royal Society of Chemistry in 2008.

Keynote Speaker: Dr. Shaun Hendy

Deputy Director, School of Chemical and Physical Sciences at Victoria University in Wellington and a Principal Scientist at Industrial Research Limited (IRL). He is also a Principal Investigator in the MacDiarmid Institute. He has pioneered, established and developed the transformational research area of Theoretical Nanotechnology in New Zealand. Shaun’s major research discoveries include identifying new solid-liquid phase behaviour induced from nano-scale collisions and the classification of novel recoil behaviour of nano-particles.

Keynote Speaker: Prof. Roy Johnston

Prof. Roy Johnston is a professor of computational chemistry in the School of Chemistry of University of Birmingham. His research spans the fields of computational nanoscience and nature-inspired computation, such as the study of elemental and bimetallic clusters (“nanoalloys”), including the simulation of STEM images and plasmon spectra, the application of genetic and other nature-inspired algorithms to optimisation problems in chemistry and physics, and developing techniques for visualising and analysing the complexity of energy landscapes.  He is the author of a book “Atomic and Molecular Clusters” and of over 150 journal articles.  He is a Fellow of the Royal Society of Chemistry and a past secretary of the RSC Theoretical Chemistry Group.

Keynote Speaker: Prof. Bernhard Schlegel

Prof. H. Bernhard Schlegel of Wayne State University is interested in methods for exploring potential energy surfaces for chemical reactions using molecular orbital calculations. His research involves both method development and applications.  The development of new algorithms includes methods for geometry optimization, search for transition states, reaction path following and ab initio molecular dynamics.  His new methods are regularly contributed to the Gaussian series of programs.  He has published over 300 scientific papers. Schlegel is a Fellow of the American Association for the Advancement of Science and a Fellow of the Royal Society of Chemistry.

Keynote Speaker: Dr. Florent Calvo


Florent Calvo is a CNRS research associate working at the University of Lyon, France. He co-authored more than 130 publications, received the CNRS Bronze Medal in 2003, the Young Researcher Prize from the French Society of Chemistry in 2008 and was made a Churchill College Overseas Fellow 2010. His research interests lie in the thermodynamics and dynamics of clusters and developing computational approaches for sampling energy landscapes. His research interests have recently moved towards theoretical spectroscopy and quantum vibrational dynamics of large chemical systems.

Keynote Speaker: Prof. Gernot Frenking

Prof. Gernot Frenking is professor in the chemistry department of the Philipps University of Marburg, Germany. The main research area of his group is the application of theoretical methods for studying structure, reactivity, physical properties and bonding situation of molecules, particularly transition metal compounds, using quantum mechanical ab-initio as well as density functional methods in conjunction with effective core potentials for the heavy atoms. He is recipient of the Schroedinger medal and fellow of Royal Society of Chemistry of Spain and of the Royal Society of Chemistry (FSRC). Last year, he was the Lise-Meitner Lecturer at the Hebrew University of Jerusalem, Israel.

Keynote Speakers

Keynote Speaker: Prof. Per Jensen

Prof. Per Jensen is the professor of theoretical spectroscopy at the University of Wuppertal, Germany. His research interests lie in the border area between molecular spectroscopy and quantum chemistry. He develops and applies methods for calculating spectra of small molecules from the underlying properties such as the Born-Oppenheimer potential energy and the dipole moment or, conversely, to determine molecular properties by least-squares fitting of high resolution spectroscopic data. He has authored and coauthored more than 180 articles in the field, making significant contributions to the methods for accurate simulation of molecular spectra from first principles, and to the understanding of the anomalous rotation-vibration energy level patterns occurring at high rotational excitation. Together with P. R. Bunker, he has authored two textbooks "Molecular Symmetry and Spectroscopy" and "Fundamentals of Molecular Symmetry" and edited the book "Computational Molecular Spectroscopy". He received the Ioannes Marcus Marci Medal of the Czech Spectroscopic Society in 2008.

Keynote Speaker: Prof. Wibe deJong

Prof. Wibe deJong is a chief scientist at the Environmental Molecular Sciences Laboratory (EMSL), located at the  Pacific Northwest National Laboratory (PNNL). He is the Capability Lead and manager of the High Performance Software Development Group responsible for the development of the NWChem computational chemistry software. Prof. deJong's research interests include development of relativistic computational chemistry and application of quantum chemistry to systems relevant to the theoretical and experimental chemistry and physics community, such as modeling of experimentally relevant heavy element-containing molecular systems and their properties in collaboration with experimental researchers.

Keynote Speaker: Prof. William H. Miller

Prof. William H. Miller is the Kenneth S. Pitzer Distinguished Professor of Chemistry at the University of California, Berkeley. His research has dealt with essentially all aspects of molecular collision theory and chemical reaction dynamics. The more significant of his contributions include a comprehensive semiclassical scattering theory (the classical S-matrix) of inelastic and reactive scattering processes, the reaction path Hamiltonian for describing polyatomic reactions, the S-matrix Kohn variational method for state-to-state reactive scattering, and a rigorous quantum theory of chemical reaction rates (and its semiclassical limit, the "instanton" model) that generalizes transition state theory. Most recently his efforts have focused on developing the initial value representation (IVR) of semiclassical theory into a practical way of adding quantum effects to classical molecular dynamics simulations of chemical processes.

He recently received the Herschbach Award in the Dynamics of Molecular Collisions (2007), the Welch Award in Chemistry (2007), and the Ahmed Zewail Prize in Molecular Sciences (2011).

Keynote Speaker: Prof. Keiji Morokuma

Prof. Keiji Morokuma is Emeritus Professor of Theoretical Chemistry at Emory University, Georgia, USA and at the Fukui Institute for Fundamental Chemistry, Kyoto University, Japan. His research focuses on the theoretical and computational study of chemical reactions. Development of new theoretical method including Liouville-von Neumann dynamics and further development of ONIOM and GRRM (global reaction route mapping) methods is an essential ingredient in his research.

He is a member of the International Academy of Quantum Molecular Science and a recipient of the Schroedinger medal.