Awards 2012

The 2012 Fukui Medal was awarded to Shigeru Nagase (Institute for Molecular Science, Okazaki) for his achievement in theoretical and computational chemistry and close interplay with experiment.

The 2012 Pople Medal was awarded to Jin Yong Lee (Sungkyunkwan University, Suwon) for his contribution to theoretical understanding of fluorescent sensors, organic semiconductors, organic magnetic materials, and chemical reaction dynamics for extreme rare events, as well as design of new functional materials based on intermolecular interactions.

APCTCC-5

The 5th Asian Pacific Conference of Theoretical & Computational Chemistry (APCTCC) will be held on December 9–13, 2011 at the Novotel/Convention Centre, Rotorua, New Zealand. Details, contact Professor Peter Schwerdtfeger (peter.schwerdtfeger@gmail.com).

Conference website
Link to the flyer (pdf file, 1.2MB)

Awards 2011

The 2011 Fukui Medal was awarded to Peter Adolf Schwerdtfeger (Massey University, Auckland) for his achievement in quantum chemistry, in particular for deeper understanding of quantum relativistic effects.

The 2011 Pople Medal was awarded to Hiromi Nakai (Waseda University, Tokyo) for the development of linear-scaling electron correlation theory and density functional theory for weak interactions and core excitations.

News 2010

Peter Schwerdtfeger and Debashis Mukherjee have been awarded the Humboldt Prize. We congratulate Peter and Debashis on the Award.

Kwang Kim was awarded the honor of a National Scientist, the highest prize in academia in Korea. We congratulates Kwang to this honor.

Our Scientific Board Member Shigeki Kato passed away on March 31 at the age of 61 after a long disease. We have lost an excellent colleague rather prematurely. The President offers his condolences to the bereaved family.

APCTCC-4 Awards

Best Student Oral Communication Awards:

• Yusaku I. Kurokawa, (Kyoto University, Japan),
  MRMP2 and DFT Study of Inverted Sandwich Type Dinuclear Transition Metal Complexes: Surprisingly High Spin Multiplicity in the Mn Analogue
• Chia-Ching Wang, (National Taiwan University of Science and Technology, Taiwan),
  DFT Study of NHx (X = 1-3) Adsorption and Ammonia Oxidation on RuO2(110) Surface

Best Poster Awards:

• Soo Tin Kwa, (National University of Singapore, Singapore),
  Terahertz (THz) Absorption Spectrum of 2,4-Dinitrotoluene
• Jong-Won Song, (RIKEN, and University of Tokyo, Japan),
  Systematic Optimization of Long-Range Corrected Hybrid Exchange-Correlation Functionals Including a Short-Range Gaussian Attenuation (Lcgau-B97)
• Hirotoshi Mori, (Ochanomizu University, Japan),
  Theoretical Design of Dipole Photo Switching Molecule: Ab Initio Electronic Structure Study of Aza-Substituted π-Electron Systems

Awards 2010

The 2010 Fukui Medal was awarded to Kwang S. Kim (Pohang University of Science and Technology, Pohang) for his pioneering and extensive contributions to the application of theoretical/computational chemistry in design of new materials.

The 2010 Pople Medal was awarded to Chao-Ping Hsu (Academic Sinica, Taipei) for her contributions to charge transport and energy transfer in advanced materials and dynamic description of biological systems. She developed computational schemes to characterize the electronic coupling strengths for both electron transfer, excitation energy transfer processes, and ab initio computational schemes to calculate triplet excitation energy transfer.

APCTCC-4

The fourth Asian Pacific Conference on Theoretical & Computational Chemistry (APCTCC-4), organized Richard M. W. Wong, was held on 21-23 December, 2009 at the Legend Water Chalets, Port Dickson, Malaysia (venue website: http://www.legendwaterchalets.com.my/). The theme of APCTCC-4 was Frontiers in Theoretical and Computational Chemistry. The conference program lasted for two and a half days. 60-80 talks and about 100 poster were presented. For the first time, a special oral session was given by students.

The conference website:
http://staff.science.nus.edu.sg/~apctcc4/index.htm

Awards 2009

The 2009 Fukui Medal was awarded to Hiroshi Nakatsuji (Quantum Chemistry Research Institute, Japan). He is one of the great pioneers in the development and applications of theoretical chemistry in the modern era.

The 2009 Pople Medal was awarded to Masahiro Ehara (Institute for Molecular Science, Japan) for his theoretical development and applications of theoretical fine spectroscopy to the valence to core electron chemistry and dynamics.

Awards 2008

The 2008 Fukui Medal was awarded to Debashis Mukherjee (Indian Association for the Cultivation of Science, India) for his pioneering development in the coupled cluster theory formalism.

The 2008 Pople Medal was awarded to Shuhua Li (Nanjing University, PR China). The citation to accompany the medal is "his contribution to the development of linear scaling electronic structure methods and block-correlated coupled cluster theory".

New Board Members

The Board member meeting was held at Jiuhua Spa and Resort in Beijing, China, on September 22nd, 2007.

The following people were elected as new board members of APATCC:

Wei-Hai Fang (Beijing Normal Univ., Beijing)
Peter M.W. Gill (ANU, Canberra)
Eluvathingal D. Jemmis (IIS, Bangalore)
Shigeki Kato (Kyoto Univ., Kyoto)
Wenjian Liu (Peking Univ., Beijing)

The Poster Awards

3rd APCTCC Poster Awards were given to the following people:

• Dipayan Datta,
  "An explicitly spin-free compact cluster expansion formalism for open-shell systems"
• Toru Shiozaki,
  "Grid-based Hartree–Fock and second-order Møller–Plesset perturbation methods for atoms and polyatomic molecules"
• Isseki Yu,
  "Microscopic Understanding of Preferential Exclusion of Compatible Solute Ectoine: Surficial Kirkwood-Buff Approach"
• Wei Han,
  "A Coarse-grained Protein Model Coupled with a Coarse-grained Water Model: Molecular Dynamics Study of Polyalanine-based Peptides"
• Young Choon Park,
  "Spin-orbit effects on HX and X2 molecules and transition states of X+HX→XH+X reactions (X=Cl, Br, I, At)"
• Kazuya Ishimura,
  "New Parallel Algorithm for MP2 Energy and Gradient Calculations and its applications"
• Xian-Hui Wu,
  "A Water-mediated and Substrate-Assisted Catalytic Mechanism For Adenosine Deaminase"
• Feng Feng,
  "An improved semiempirical quantum model—RM1BH: Effectively for Biological Hydrogen Bonding Systems"

The Annual Medals

APATCC gives out the Annual Medals. The Fukui Medal for outstanding theoretical/computational chemists in the Asia-Pacific region and the Pople Medal to young scientists (at the age of 45 or less) in the Asia-Pacific region who has published very original papers that have an evident importance for theoretical/computational chemistry. Anyone who wishes to be considered for the Annual Medal should contact an appropriate board member with regard to his/her possible nomination.