News February 2023
The Tenth Conference of the Asia-Pacific Association of Theoretical and Computational Chemists
(APCTCC-10 or APATCC 2023) was held in Quy Nhon, Vietnam, from February 19 to 23,
2023. The conference attracted over 370 participants from over 20 countries.
The program included 53 Plenary/Historical/Keynote lectures, 116 Invited lectures,
32 Contributed lectures, and over 90 Posters. For more details,
see https://computational-quantum.com/apatcc-10/ .
At the APATCC Board Meeting held at the start of APATCC 2023, the following new Board Members
Carmay Lim (Academia Sinica, Taipei, Taiwan)
Sourav Pal (Ashoka University, India)
Eunji Sim (Yonsei University, Korea)
In addition, Kobe, Japan was selected as the site of APCTCC-11 (or APATCC-2024),
which will be held in the autumn of 2024.
News February 2023
The 2023 APATCC Medallists have been selected:
The 2023 Fukui Medal was awarded to Professor Carmay Lim (Institute of Biomedical Sciences, Academia Sinica, Taipei, Taiwan) for her seminal contributions in elucidating the physico-chemical principles underlying complex biological systems, in particular protein-metal ion interactions.
The 2023 Pople Medal was awarded to Professor Haibo Ma (Shandong University, Jinan, China) for his development of density matrix renormalization group (DMRG)-based electronic structure and dynamics simulation methods for strongly correlated systems coupled with large environments.
It is our great pleasure to confirm that the APCTCC-10 (APATCC 2023) conference will be held on 19-23 February 2023
at the International Center for Interdisciplinary Science and Education (ICISE) in Quy Nhon, Vietnam.
Please check the website below for more details.
Please also contact with Prof. Minh Tho Nguyen, the Chairman of the Organizing Committee,
if one has questions (minh.nguyen AT kuleuven.be)(Please replace AT with @).
News Jan 2022
The 2022 APATCC Medallists have been selected:
The 2022 Fukui Medal was awarded to Professor Dong H. Zhang (Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China) for his outstanding contributions to quantum dynamics, especially the development of methods for potential energy surface construction and time-dependent wave packet simulation.
The 2022 Pople Medal was awarded to Professor Lars Goerigk (The University of Melbourne, Australia) for his outstanding contributions to the accurate treatment of ground and excited states with Density Functional Theory and the development of accurate and robust time-dependent double-hybrid density functionals for electronic excitation energies.
Due to COVID-19, the Tenth Conference of the Asia-Pacific Association of Theoretical and
Computational Chemists (APCTCC-10 or APATCC 2021)
has been postponed to 2022, with the location and dates to be advised.
News Dec 2020
The 2021 APATCC Medallists have been selected:
The 2021 Fukui Medal was awarded to Professor Seiichiro Ten-no (Kobe University, Kobe, Japan) for his significant contribution to the development of novel electron correlation methods.
The 2021 Pople Medal was awarded to Professor Xuhui Huang (The Hong Kong University of Science and Technology, Hong Kong, China) for his outstanding contributions to the development of statistical mechanics based methods to elucidate conformational dynamics of complexed biological macromolecules.
News June 2020
The 2020 APATCC Medallists have been selected:
The 2020 Fukui Medal was awarded to Professor Wei-Hai Fang (Beijing Normal University, Beijing, China) for his important contributions in developing quantum trajectory mean-field methods for nonadiabatic dynamics simulations and in solving problems in the photo-induced chemical and biological systems.
The 2020 Pople Medal was awarded to Professor Hiroyuki NAKASHIMA (Quantum Chemistry Research Institute, Kyoto, Japan) for his outstanding contributions in developing methods for solving the Schroedinger equations of atoms and molecules and in performing their essentially exact level calculations of various systems.
The Tenth Conference of the Asia-Pacific Association of Theoretical and Computational
Chemists (APCTCC-10 or APATCC 2021) will be held at Hue University, Vietnam, from
September 5 to 9, 2021. The web site link will be available soon.
News January 2020
The Ninth Conference of the Asia-Pacific Association of Theoretical and Computational Chemists
(APCTCC-9 or APATCC 2019) was held in Sydney, Australia, from September 30 through October 3, 2019.
The conference attracted 353 participants from 23 countries. The program included 122 Invited/Award
lectures, 72 Invited Communications, and 148 Posters. For more details, see
apatcc2019.com (This website is now archived
At the APATCC Board Meeting held at the start of APATCC 2019, the following new Board Members were elected:
Jane Allison (University of Auckland, New Zealand)
Xuhui Huang (HKUST, Hong Kong, China)
Yousung Jung (KAIST, Korea)
WanZhen Liang (Xiamen University, China)
RB Sunoj (IIT Bombai, India)
In addition, Hue University, Vietnam was selected as the site for APCTCC 10 from September 5 to 9, 2021.
News September 2018
The 2019 APATCC Medallists have been selected:
The 2019 Fukui Medal was awarded to Professor Kazuo Takatsuka (Kyoto University, Japan) for his outstanding contributions to electron dynamics beyond the Born-Oppenheimer approximation.
The 2019 Pople Medal was awarded to Professor Jian Liu (Peking University, China) for his outstanding contributions to unravelling nuclear quantum effects in dynamic spectroscopic and thermodynamic properties of complex systems.
News January 2018
It is with great sadness that we record the passing of Professor Keiji Morokuma on November 27, 2017. Professor Morokuma was a foundation member of the APATCC Board and the winner of the inaugural Fukui Medal. He was an exceptional scientist, a leader in the international community of theoretical and computational chemists, and a wonderful human being. He will be sadly missed.
The Eighth Asia-Pacific Conference on Theoretical and Computational Chemistry (APCTCC 8) was held in Mumbai, India, from December 15-17, 2017. The conference attracted 336 participants from fifteen countries. The program included 88 Invited/Award lectures, 24 Short Talks, and 173 Posters. For more details, including photos, see http://www.chem.iitb.ac.in/~apctcc8/
At the APATCC Board Meeting at APCTCC-8, the following new Board Members were elected:
Supa Hannongbua from Kasetsart University, Thailand
Seiichiro Ten-no from Kobe University, Japan
Hiromi Nakai from Waseda University, Japan
In addition, Sydney, Australia was selected as the site for APCTCC 9 from September 30 to October 3, 2019.
News September 2017
The 2018 Fukui Medal was awarded to Professor Richard Ming Wah Wong (National University of Singapore, Singapore) for his outstanding contributions to the application of computational chemistry to physical organic chemistry.
The 2018 Pople Medal was awarded to Professor Yousung Jung (KAIST, Korea) for his outstanding contributions to developing efficient electronic structure methods and
their applications to energy materials discovery.
News December 2016
The 2017 Fukui Medal was awarded to Professor Wenjian Liu (Peking University, China) for his outstanding contributions to relativistic quantum chemistry.
The 2017 Pople Medal was awarded to Professor Takeshi Yanai (Institute of Molecular Science, Okazaki, Japan) for his outstanding work in electronic structure theory, particularly the incorporation of dynamic electron correlation into multireference wave functions.
The Eighth Asia-Pacific Conference of Theoretical and Computational Chemistry (APCTCC 8) will be held in Mumbai, India in December 2017. For more details, see http://www.chem.iitb.ac.in/~apctcc8/
News January 2016
The Seventh Asia-Pacific Conference of Theoretical and Computational Chemistry (APCTCC 7) was held in Kaohsiung, Taiwan from January 25-28, 2016. The conference attracted 206 participants from sixteen countries and areas, as follows: 81 from Taiwan, 48 from Japan, 32 from China, eleven from the Republic of Korea, eight from Australia, five from India, five from the Philippine, five from Thailand, two from New Zealand, two from Singapore, two from Sri Lanka, one from Hong Kong, one from Kazakhstan, and three guests from Europe. The program included five award lectures, 75 invited lectures, 23 contributed orals, 16 student orals, and 54 posters. For more details, including photos, see http://apctcc7.chem.nthu.edu.tw
At the APATCC Board Meeting at APCTCC-7, the following new Board Members were elected:
Julian Gale from Curtin University, Australia
Jin Yong Lee from Sungkyunkwan University, Korea
Shuhua Li from Nanjing University, China
Minh Tho Nguyen from University of Leuven, Belgium (representing Vietnam)
In addition, Mumbai, India in December 2017 was selected as the site for APCTCC 8.
News November 2015
The 2016 Fukui Medal was awarded to Professor Eluvathingal Jemmis (Indian Institute of Science, Bangalore, India) for his unique theoretical approach to facilitate the understanding of the chemistry of transition metal organometallics, analogies in main group elements, and boron and its compounds.
The 2016 Pople Medal was awarded to Professor Yi Qin Gao (Peking University, China) for his outstanding contributions in developing efficient methods for molecular simulations of biological systems and in resolving long standing theoretical problems.
News April 2015
The 2015 Fukui Medal was awarded to Professor Shigeyoshi Sakaki (Kyoto University, Japan) for his outstanding achievements in theoretical and computational studies of complex systems involving transition metal elements.
The 2015 Pople Medal was awarded to Professor Michelle Coote (Australian National University, Australia) for her pioneering work on the development and application of accurate computational chemistry procedures for modelling radical polymerization processes.
The Seventh Asia-Pacific Conference of Theoretical and Computational Chemistry (APCTCC 7) will be held in Taiwan in early 2016. For more information, see APCTCC-7 web site or contact Professor Chin-Hui Yu (chyu at mx.nthu.edu.tw).
News January 2014
It is with great sadness that we record the passing of Professor Yuansheng Jiang (Nanjing University) in the evening of January 10, 2014. Professor Jiang was a distinguished member of the Chinese theoretical chemistry community, as reflected for example in his election in 1991 to the Chinese Academy of Science. He was a strong supporter of APATCC from its inception and was appointed as an APATCC Fellow a few years ago.
The 2014 Fukui Medal was awarded to Professor Yun-Dong Wu (Peking University Shenzhen Graduate School, Shenzhen, China) for his outstanding contributions to the application of theoretical/computational chemistry.
The 2014 Pople Medal was awarded to Professor Henryk Witek (National Chiao Tung University, Taiwan) for his innovative contributions to theoretical and mathematical aspects of quantum chemistry, particularly his contributions to multireference perturbation theory and the density-functional tight-binding method.
The Sixth Asia-Pacific Conference of Theoretical and Computational Chemistry (APCTCC 6) was held in Gyeongju, Korea from July 10-13, 2013. The conference attracted 177 participants from 13 countries. The program included 4 Plenary Lectures, 10 Keynote Lectures, 70 Invited Lectures and 8 Contributed Oral Presentations. For more details, see http://apctcc6.postech.ac.kr
At the APATCC Board Meeting at APCTCC-6, the following new Board Members were elected:
Supa Hannongbua from Kasetstart University, Thailand
Chao-Ping Hsu from Academia Sinica Taipei, Taiwan
Edgar Winstanley Ignacio from Mindanao State University, Phillipines
The 2013 Fukui Medal was awarded to Peter Gill (Australian National University, Canberra, Australia) for his novel contributions to the theory of electron correlation and uniform electron gases.
The 2013 Pople Medal was awarded to Takahito Nakajima (RIKEN AICE, Kobe Japan) for his innovative contributions to relativistic molecular orbital theory.
The New Executive Committee
The New President and Vice President were elected. The Executive Committee 2012–2018 is: President: Leo Radom; Vice President: Yun-Dong Wu; Past President: Kimihiko Hirao.
The 2012 Fukui Medal was awarded to Shigeru Nagase (Institute for Molecular Science, Okazaki, Japan) for his outstanding achievements in theoretical and computational chemistry and close interplay with experiment.
The 2012 Pople Medal was awarded to Jin Yong Lee (Sungkyunkwan University, Suwon, Korea) for his significant 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.
The 5th Asia-Pacific Conference of Theoretical & Computational Chemistry (APCTCC) was held from December 9–13, 2011 at the Novotel/Convention Centre, Rotorua, New Zealand. Details, contact Professor Peter Schwerdtfeger (email@example.com).
The 2011 Fukui Medal was awarded to Peter Adolf Schwerdtfeger (Massey University, Auckland, New Zealand) for his significant 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, Japan) for the innovative development of linear-scaling electron correlation theory and density functional theory for weak interactions and core excitations.
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.
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
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 significant 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.
The fourth Asia-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:
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.
The 2008 Fukui Medal was awarded to Debashis Mukherjee (Indian Association for the Cultivation of Science, India) for his pioneering developments in coupled cluster theory formalism.
The 2008 Pople Medal was awarded to Shuhua Li (Nanjing University, PR China) for his innovative contributions 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:
"An explicitly spin-free compact cluster expansion formalism for open-shell systems"
"Grid-based Hartree–Fock and second-order
Møller–Plesset perturbation methods for atoms and polyatomic molecules"
"Microscopic Understanding of Preferential Exclusion of
Compatible Solute Ectoine: Surficial Kirkwood-Buff Approach"
"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)"
"New Parallel Algorithm for MP2 Energy and Gradient
Calculations and its applications"
"A Water-mediated and Substrate-Assisted Catalytic
Mechanism For Adenosine Deaminase"
"An improved semiempirical quantum model—RM1BH:
Effectively for Biological Hydrogen Bonding Systems"
The Annual Medals
APATCC awards Annual Medals: the Fukui Medal is awarded for outstanding theoretical/computational chemists in the Asia-Pacific region, and the Pople Medal is awarded to younger scientists (at the age of 45 or less) in the Asia-Pacific region who have 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.