University of Hong Kong
Ph.D.: Physics, California Institute of Technology
B.S.: Physics, Fudan University, China
05/2010-Present: Head, Department of Chemistry, HKU
09/2006-Present: Professor, Department of Chemistry, HKU
12/1999-08/2006: Associate Professor, Department of Chemistry, HKU
07/1996-11/1999: Assistant Professor, Department of Chemistry, HKU
Australia National University
Michael Collins completed his B.S. (Hons) in 1974 and Ph.D. in 1977 at the University of Sydney. He was a CSIRO postdoctoral Fellow at M.I.T., working with Professor John Ross in 1977-78. He was a Research Fellow and Senior Research Fellow in the Research School of Chemistry, 1979-1887. During that period he was a Fulbright Fellow at the University of Chicago (1980), working with Professor Stuart Rice, and a Nuffield Fellow at the University of Cambridge (1982), working with Professor David Buckingham. He was appointed Fellow (1988), Associate Professor (1996) and Professor (2002) in the Research School of Chemistry, Australian National University. Professor Collins' research has spanned a number of areas in theoretical and computational chemistry: Beginning with his graduate research in semi-classical gas-phase collision theory; proceeding into nonlinear dynamical phenomena, particularly solitons and related nonlinear waves in several aspects of condensed matter and molecular motion; chemical reaction dynamics, with particular emphasis on methods for constructing molecular potential energy surfaces from quantum chemistry calculations; and most recently in the development of methods for evaluating the properties of large molecules, crystals and crystal surfaces. He has been awarded the Rennie Medal and the Physical Chemistry Division Medal of the Royal Australian Chemical Institute.
University of Wisconsin-Madison
Qiang Cui (QC) received a B.S. (1993) in Chemical Physics from the University of Science and Technology of China, and a Ph.D. (1997) in Chemical Physics from Emory University, working with Professor Keiji Morokuma. Following postdoctoral studies at Harvard University with Professor Martin Karplus, in 2001, he joined UW-Madison, where he remained since as a Professor of Chemistry.
Weizmann Institute of Science
David Tannor is the Hermann Mayer Professorial Chair in Chemical Physics at the Weizmann Institute of Science. He received his B.A. from Columbia University followed by Ph.D. work at UCLA and Los Alamos, and was a postdoc at the University of Chicago. He is the author of the textbook Introduction to Quantum Mechanics: A Time-dependent Perspective, and over 120 scientific articles and reviews, spanning fundamental quantum mechanics theory, simulation methodologies, classical-quantum correspondence, light-matter interactions and the active control of chemical reactions using laser light.
University of Minnesota
Jiali Gao is a theoretical and computational biochemist, whose work focuses on the structure and properties of macromolecular systems. This includes the understanding of protein dynamics and enzyme catalysis, biomolecular interactions and assembly, and biophysical systems biology, as well as the development of quantum and classical mechanical methodologies. The major focus of his research in the past few years has been the understanding of enzyme catalysis based on analyses of the structure and energetics from dynamics simulations in which quantum mechanics is used both to represent the potential energy surface and to treat the nuclear tunneling. He is currently pioneering an effort to develop a fully quantal force field for simulation and modeling of materials, fluids, and biomacromolecules. He recently introduced the concept of analytical coarse-graining of macromolecular particles for the study of diffusion and assembly of proteins and nucleic acids in cells.
Jiali Gao studied at Beijing University, and his professional career follows graduate work at Purdue, postdoctoral research at Harvard, and faculty positions at the State University of New York at Buffalo, the University of Minnesota and Jilin University. He is currently a Professor of Chemistry at Minnesota, and Professor of Theoretical Chemistry at Jilin University.
Yiqin Gao received B.S. from Sichuan University in 1993; M.S. from Institute of Chemistry, Chinese Academy of Sciences in 1996; and Ph.D. from Caltech in 2001 (advisor, Professor Rudolph A. Marcus). He was a Postdoctoral Research Fellow at Caltech and Harvard University from 2001 to 2004 (advisor, Professors Rudolph A. Marcus, and Martin Karplus), and an Assistant Professor, Texas A&M University from 2005 to 2010. He became a Changjiang Professor at the College of Chemistry and Molecular Engineering, Peking University in 2010 and an Investigator of BIOPIC, PKU in 2013. He has received the Keynote Lecturer award of the Japanese Chemical Society, the NSFC Outstanding Young Investigator Award, the Changjiang Scholar, the Searle Scholar, the Camille and Henry Dreyfus New Faculty Award, the Milton and Francis Clauser Prize for the Best Doctoral Thesis of Caltech and the Herbert Newby McCoy Award. He is on the editorial board of the Journal of Molecular Recognition, Interdisciplinary Sciences and Acta Chimica Sinica.
South China Normal University
Fenglong Gu received his B.S. (1989), M. S. (1992), and Ph.D (1995) from Jilin University. After postdoctoral fellow at Erlangen-Nurnberg University from 1995 to 1997, at Ottawa University from 1997-2003, as well as his JSPS fellowship from 2001 to 2002 at Hiroshima University, he worked in Kyushu University for 5 years, and now he is a professor of Chemistry at South China Normal University. His research interest is about the methodology development for linear scaling calculations for large systems. He has (co-)authored about 120 scientific papers in international journals, three book chapters and a book of Springer Briefs.
Dalian Institute of Chemical Physics, Chinese Academy of Sciences
Keli Han was born in 1963 in Shandong, China. He received his doctorate in 1990 from the State Key Laboratory of Molecular Reaction Dynamics at DICP and subsequently became an assistant professor. He pursued postdoctoral studies at University of California at Davis and Emory University in the years 1993 to 1995. In 1995, he became a full professor of Chemical Physics at DICP. Professor Han's current research interests involve experimental and theoretical chemical dynamics. He has published over 400 papers.
University of California, Berkeley
Martin Head-Gordon has been at the Department of Chemistry at the University of California, Berkeley, since 1992, and has been a Faculty Chemist in the Chemical Sciences Division of Lawrence Berkeley National Laboratory since 1994. At Berkeley he was promoted to Associate Professor in 1997 and Full Professor in 2000. His awards include a 1993 National Science Foundation Young Investigator Award, an Alfred P. Sloan Foundation Research Fellowship (1995-7), a David and Lucile Packard Fellowship (1995-2000), and the 1998 Medal of the International Academy of Quantum Molecular Sciences. Prior to joining the Berkeley faculty, Dr. Head-Gordon was a postdoctoral researcher at AT&T Bell Laboratories, where he developed unique electronic structure methods for calculating nonadiabatic energy exchange between molecules and surfaces. He obtained his Ph.D. in 1989 from Carnegie-Mellon University, working with Professor John Pople on molecular orbital methods for large molecules. Head-Gordon's research program centers on the development of new electronic structure theory methods, and their implementation as efficient computer algorithms. He is an author or co-author of over 120 scientific publications, and has presented over 60 invited talks at major scientific meetings and research universities.
Professor Luhua Lai (Ph.D.) got her B.S. and Ph.D. in the Department of Chemistry, Peking University in 1984 and 1989. She then joined the faculty of the same department as lecturer, and became a full professor in 1992. During 1999-2000, she was a Berkeley Scholar in the University of California at Berkeley. Currently she is director of the Institute of Physical Chemistry and Changjiang Professor in the College of Chemistry and Molecular Engineering, Peking University. She also serves as deputy director for the Center for Quantitative Biology, Peking University. Luhua Lai was an associated editor for PLoS Computational Biology (2005-2013) and is an editorial board member for BMC Bioinformatics. Professor Lai’s group works on deciphering the basic rules governing protein sequence, structure and function relationship, investigating mechanism of biomolecular interactions, carrying out protein design, structural based and systems based drug design by using combined approaches of modeling and experimental studies. They develop computational methods and programs, and use them to study biomolecules and systems of interest. Their current research areas include: (I) Novel protein-protein interaction pair design. Protein-protein interactions are essential in many biological processes. They are developing computational strategies for novel protein interaction pair design and are designing novel protein or peptide binders for tumor necrosis factor, as well as other protein interaction systems. (II) Strucutral based drug design. They have developed various methods and programs for structural based drug design. Some of the programs, like the de novo drug design program LigBuilder are widely used, with a total of over 4,000 registered users. Approaches for multi-target drug design, allosteric regulation and disordered protein regulation are being developed. For applications, they are designing ligands for proteins in the human inflammation network and cell mitosis. They also use designed ligands as probes to study regulation mechanism of biological systems. (III) Systems based drug design. They are studying disease related molecular networks and developing methods for key target and multiple target intervention solution identification. The human inflammation related arachidonic acid metabolic network, cell mitosis, and cancer cell metabolism have been used as examples for systems based network regulation study.
Ph.D. (1992): Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
M.S. (1988): Hebei Normal University
B.S. (1982): Shaanxi University of Technology
Professor Li was born in July 1969, Hunan Province. He received B.S and M.S. in chemistry from Central South University of Technology in 1990 and 1993, respectively, and PhD in physical chemistry from Nanjing University in 1996. His research experience includes two-year postdoctoral research in Department of Physics, Nanjing University, and two-year postdoctoral work in Department of Chemistry, Texas A&M University. In 2000, he became an associate professor in Department of Chemistry, Nanjing University. In 2002, he was promoted to be a full professor. Now he is the executive dean of School of Chemistry and Chemical Engineering, Nanjing University.
In 2008, he won the Pople Medal of Asian Pacific Association of Theoretical & Computational Chemists. In 2009, he was appointed as Changjiang Scholar Chair Professor by Chinese Ministry of Education. In 2014, he was elected as the board member of the World Association of Theoretical and Computational Chemists. He is currently an Editorial Board Member of: Molecular Physics (Taylor & Francis), Acta Physico-Chimica Sinica (CCS), Progress in Chemistry (CAS).
Prof. Liu, a Cheung Kong Scholar since 2001, has been developing relativistic quantum mechanical theories and methods for the chemistry and physics of systems containing heavy elements, including several relativistic many-electron Hamiltonians (effective QED, Q4C, X2C, and sf-X2C+sd-DKHn), several variants of 4C/X2C NMR/NSR theories, relativistic/spin-adapted open-shell/linear-scaling TD-DFT, as well as a general framework for relativistic explicitly correlated methods.
Currently his group is developing new wavefunction-based methods for strongly correlated electrons under the scenario of "first dynamic then static", fragment-based low-order scaling non-relativistic and relativistic explicitly correlated methods, as well as solid state NMR. The in-house BDF (Beijing Density Functional) suit of program packages serves as the platform for the developments.
Zhipan Liu, Professor, Major Research Interests: (i) Theoretical Surface Science; (ii) First-principles Reaction Dynamics; (iii) Heterogeneous and Biological Catalysis; (iv) Electronic Structure calculations. Brief CV: Undergraduate and graduate (1993-2000) at Shanghai Jiaotong University, Ph.D (2000-2003) at Queen’s University of Belfast (U.K.), Post-doctoral associate (2003-2005) at University of Cambridge (U.K.). Full Professor in Department of Chemistry, Fudan University since 2005. He has been awarded a number of prestigious awards, including IUPAC Prize for Young Chemists (2004), National Science Fund for Distinguished Young Scholars (2009), Changjiang Scholar of Ministry of Eductation (2013). More than 100 scientific papers published since 2001, including 20 papers in J. Am. Chem. Soc, 5 papers in Phys. Rev. Lett., 1 in Angew. Chem. The published papers have been cited over 4100 times.
Todd Martínez was born on March 22, 1968 in Amityville, New York. He received his B. S. in Chemistry from Calvin College in 1989 and his Ph.D. in Chemistry from the University of California at Los Angeles in 1994. From 1994 to 1996, he was a Fulbright Junior Postdoctoral Researcher at Hebrew University in Jerusalem and a University of California President’s Postdoctoral Fellow at UCLA. In 1996, he joined the faculty in the Department of Chemistry at the University of Illinois. He rose through the ranks to become the Gutgsell Chair in Chemistry. In 2009, he was recruited to join the faculty at Stanford University and the SLAC National Accelerator Laboratory, where he is currently David Mulvane Ehrsam and Edward Curtis Franklin Professor.
1987 - 1992 Studies of Physics, Mathematics and Astronomy, University of Basel
1993 - 1997 Dr. Phil II with Prof. J. P. Maier, University of Basel
1997 - 2002 Postdoctoral Research with
Prof. J. M. Hutson (Durham, UK) (1997 - 1999)
Prof. M. Karplus (Strasbourg, F and Harvard, US) (2000-2002)
1997 - 2002 Research Visits and Collaborations
Prof. J. D. Doll, Brown University, RI, US
Prof. S. Leutwyler, University of Bern, Switzerland
Dr. E. J. Bieske, Melbourne University, Victoria, Australia
2002 - 2006 Förderungsprofessor of the Swiss National Science Foundation
Assistant Professor at the University of Basel
2006 - 2014 Associate Professor for Computational Chemistry
University of Basel
2014 Professor for Computational Chemistry
University of Basel
William Henry Emerson Professor of Chemistry
Director of the Cherry L. Emerson Center for Scientific Computation, Emory University
Research Leader, Fukui Memorial Research Group, Fukui Institute for Fundamental Chemistry, Kyoto University
Ph.D., Kyoto University
Post Doc with Martin Karplus at Columbia and Harvard
Founding Director of the Institute of Molecular Science (IMS) in Okazaki, Japan in 1977
Director of IMS, 1977-1992
National Institutes of Health (NIH) & Tel Aviv University
Ruth Nussinov received her Ph.D. in 1977 from Rutgers University and did post-doctoral work in the Structural Chemistry Department of the Weizmann Institute. Subsequently she was at the Chemistry Department at Berkeley, the Biochemistry Department at Harvard, and the NIH. In 1984 she joined the Department of Human Genetics, at the Medical School at Tel Aviv University. In 1985, she accepted a concurrent position at the National Cancer Institute of the NIH, Leidos Biomedical Research, where she is a Senior Principal Scientist and Principle Investigator heading the Computational Structural Biology Group at the NCI. She has authored over 500 scientific papers. She is the Editor-in-Chief in PLoS Computational Biology and Associate Editor and on the Editorial Boards of a number of journals. She is a frequent speaker in Domestic and International meetings, symposia and academic institutions, and won several award. Her National Cancer Institute website gives further details.
W. H. Eugen Schwarz
Physical and Theoretical Chemistry, University of Siegen, 57068 Germany
Theoretical Chemistry Center, Tsinghua University, 100084 Beijing, China
Beijing Normal University
Jiushu SHAO received his B.S. degree in chemistry and M.S. in organic chemistry from Nankai University, China, in 1983 and 1986, respectively. He earned a Ph.D. in theoretical chemistry from University of Ulm, Germany, in 1992. He was a professor at Chinese Academy of Sciences for 2001-2006. He then joined Beijing Normal University as Changjiang Professor in 2006. His research Interests focus on quantum dynamics of dissipative systems, semiclassical approximations, control of quantum states, chiral symmetry breaking, and spectroscopy.
Ph.D.: Physics, Fudan University 1989
B.S.: Physics, Sun Yat-sen University 1983
Georgia Institute of Technology
Jeffrey Skolnick is the Director of the Integrated Biosystems Institute and the Center for the Study of Systems Biology in the School of Biology at the Georgia Institute of Technology where he holds the Georgia Research Alliance Eminent Scholar in Computational Systems Biology and is a Georgia Research Alliance Eminent Scholar. Among his awards is the SURA 2014 Distinguished Scientist Award, an Alfred P. Sloan Research Fellowship and he is a Fellow of the American Association for the Advancement of Science, a Fellow of the Biophysical Society, a Fellow of the St. Louis Academy of Science Recently, he moved to the Georgia Institute of Technology. He is the author of over 350 publications, has an h-index of 74, and has served on numerous editorial boards including Biophysical Journal, Biopolymers, Proteins, Biology Direct, and Peer J. His research is in the area of Computational Systems Biology and has focused on the development of algorithms and their application to proteomes for the prediction of protein structure and function, the prediction of small molecule ligand-protein interactions with applications to drug discovery including off-target uses of existing drugs, and fundamental studies on interplay between protein physics and evolution in determining protein structure and function, with application to the possible origin of life. He has developed successful approaches for the prediction of protein-protein and protein-DNA interactions as well as a novel approach to cancer metabolomics. Most recently, he has undertaken molecular based simulations designed to explore the basic physical principles underlying molecular motions within a cell.
Shoji Takada received Bachelor Degree from Kyoto University in 1988, Master Degree from Kyoto University, Ph.D. from Graduate University for Advanced Study in 1994. He was a technical associates at the Institute for Molecular Science during 1991-1995, a JSPS postdoctoral fellow in 1995-1998, by which he stayed at University of Illinois at Urbana-Champaign. He joined Department of Chemistry, Faculty of Science, Kobe University in 1998 as a Faculty member. Then, he moved to Department of Biophysics, Graduate School of Science, Kyoto University as Associate Professor in 2007 and promoted to Professor in 2013.
Wenning Wang received her B.S. and Ph.D. degrees from Fudan University in 1990 and 1995. She did post-doctoral work at Institute of Molecular Science of Japan and Department of Biochemistry, Hong Kong University of Science and Technology. Now she is a professor at Chemistry Department and Institute of Biomedical Sciences at Fudan University. Professor Wang’s research interests are structural biology and computational biology, including the protein conformational dynamics of large protein complex and membrane proteins, and structural basis of asymmetric cell division and cell polarity.
I have received my B.S. (Physics, 1983) and M.S. (Theoretical Physics, 1986) from the Department of Physics, Xiamen University, and then I moved to the Department of Chemistry and received my Ph.D. (1990) in Quantum Chemistry with Qianer Zhang. In 1992-1994 I worked as a Post Doctoral Fellow with Roy McWeeny in University of Pisa, and then went back to Xiamen University as an Associate Professor. In 1995, I became a full Professor and now I am the director of the Institute of Theoretical and Computational Chemistry. I was appointed as a Changjiang Chair Professor of the Ministry of Education of China in 2004. In December of 1997, I went to the Hebrew University of Jerusalem for a one-year sabbatical leave, working with Sason Shaik. Since then I have had a long-term collaboration with Sason Shaik and Philippe Hiberty. My research interest focuses on the nature of chemical bonding, including computational method developments and software implementation for valence bond theory and their applications. I authored XMVB software, which is an ab initio nonorthogonal valence bond program.
Yundong Wu was born on May 10th, 1957 in Jiangsu, China. He obtained B.S. from Lanzhou Univ. in 1981 and Ph.D. from Univ. of Pittsburgh (with Prof. K. N. Houk) in 1986. He then continued his research at UCLA (with Houk) and Univ. of Erlangen (with Prof. Schleyer) before joining HKUST in 1992. He was promoted to full professor in 2001 and Chair Professor in 2007. Currently, he is chair professor and Vice-Chancellor of Peking University Shenzhen Graduate School.
Applying quantum mechanical techniques, Wu has made original contributions to a wide range of chemical problems including mechanistic understanding of catalysis and design of catalysts, secondary structures of peptides, protein/protein interactions, and residue-specific protein force fields. He has contributed more than 180 original papers, two textbooks, and 5 book chapters, which have a total citation of over 8000 and an h-index of 51.
Prof. Wu is serving editorial advisory boards of eight journals including Acc. Chem. Res., J. phys. Chem., J. Comput. Chem., Mol. Phys., and China Sci. Chem. He has been a Board member of the World Association of Theoretical and Computational Chemists (WATOC) since 1999 and Vice-President of the Asian Pacific Association of the Theoretical and Computational Chemistry (APATCC) since 2012. He received National Science Award of China in 1999, Croucher Award in 2000, Thomson-Reuters Research Fronts Award in 2008. He was invited to give Robert S. Mulliken Lecture in 2013 and is the recipient of the 2014 Fukui Medal of APCTCC. He was elected to member of the Chinese Academy of Science in 2005.
Daiqian Xie received his B.S. degree from Sichuan University in 1983 and Ph. D. degree in Physical Chemistry from Jilin University in 1988. After a postdoctoral fellow at Jilin University from 1988 to 1991, he worked in Sichuan University for 10 years and was a visiting professor at University of New Mexico, Duke University, and Nanyang Technological University. Now he is a professor of Chemistry at Nanjing University. His research focuses on the quantum state resolved dynamics of photodissociation reaction, small molecular collisions, molecular spectroscopy, and dissociative chemisorption on metal surfaces. He has (co-)authored about 300 scientific papers in international journals.
Xin XU received his Doctoral Degree in Theoretical Chemistry from Xiamen University, China, in 1991. After a postdoctoral stay at Fujian Institute of Research on the Structure of Matter, Academia Sinica, he was appointed as an associated professor in 1993 and was promoted to a full professor in 1995 in the department of chemistry, Xiamen University. He was also affiliated to the State Key Lab of Physical Chemistry on Solid Surfaces (PCOSS), China, where he acted as deputy director from 1996 to 2003. He was a visiting professor at Kyoto University, Japan, Ecole Normale Superieure de Lyon, France, and a visiting associate at California Institute of Technology, USA. From 2006, he was appointed as Lu-Jia-Xi Chair-professor of Xiamen University. From 2010, he moved to Fudan University, where he currently is the Chang-Jiang chair professor. His research interests involve development of density functionals and linear scaling quantum chemical methods, modeling of reaction mechanisms on the solid surfaces and in solutions.
University of Science and Technology of China
Jinlong Yang, Changjiang professor of physical chemistry, executive dean of the School of Chemistry and Materials Science of USTC, received his Ph.D. in condensed matter physics from USTC in 1991. His research interests focus on developing first principles methods and their applications on clusters, nano structures, solid materials, surfaces, and interfaces.
Florida State University
Ph.D.: State University of New York at Stony Brook, 1997 - 2001.
Postdoc.: Harvard University, 2001 - 2005.
Assistant Professor: Florida State University, 2005 - 2011.
Associate Professor: Florida State University, 2011 - Now.
Weitao Yang was born in Chaozhou, China. He received his B.S. degree from Peking University and Ph.D. degree from the University of North Carolina at Chapel Hill. He is currently the Philip Handler Professor of Chemistry and Physics at Duke University. Professor Yang's major contributions have been in the development of theoretical and computational methods in electronic structure theory. His contributions have made electronic structure calculations much more efficient and accurate. Yang pioneered the development of the linear scaling divide-and-conquer method for electronic structure calculations of large systems, and contributed to the development of density-functionals that go beyond the local density-functional approximation. His recent studies have revealed the origins of failure of common density functional approximations as the delocalization and static correlation error, through the perspectives of fractional charges and fractional spins. Professor Yang has also developed multiscale approaches combining the methods of quantum chemistry and statistical mechanics to address the reaction mechanisms of solution and enzymatic catalysis. Professor Yang has held visiting professorships from South China Normal University, the University of Hong Kong, Peking University, and Vrije Universiteit Brussel. He has received the 1997 Annual Medal of the International Academy of Quantum Molecular Science, the 2006 Humboldt Research Award for Senior U.S. Scientists, the 2012 American Chemical Society National Award for Computers in Chemical and Pharmaceutical Research, and the 2014 Florida Award by the Florida Section of the American Chemical Society. He is an elected member of the International Academy of Quantum Molecular Science, an elected fellow of American Association for the Advancement of Science and of the American Physical Society.
University of Wisconsin
Arun Yethiraj was born in India and received his B. Tech. in Chemical Engineering at the Indian Institute of Technology, Bombay. He received an M.S. at Louisiana State University, a Ph.D. at North Carolina State University, working with Professor Carol Hall, and did postdoctoral research at the University of Illinois, working with Professor Kenneth Schweizer. He joined the faculty of the Chemistry department of the University of Wisconsin in 1993. His research is in the statistical mechanics of complex fluids. He is a senior editor of The Journal of Physical Chemistry. His hobbies include tennis and marathon running.
Dalian Institute of Chemical Physics, Chinese Academy of Sciences
Professor Dong Hui Zhang was born in 1967 in Zhejiang, China, and received his B.S. degree in physics from Fudan University, China, in 1989. He earned a Ph.D. in chemical physics from New York University in 1994. After working as a postdoctoral research fellow in New York University and the University of Chicago, he joined the National University of Singapore in 1997. He moved to Dalian Institute of Chemical Physics, CAS, in 2006. His primary research area is in theoretical and computational studies of chemical reactions in the gas phase and gas-surface interface. He has published more than 180 peer-review papers, with 8 published in Science.