W. M. C. Sameera

Ph.D. (Glasgow, UK)
Postdoc: Oxford | ICIQ | Gothenburg

ORCID: 0000-0003-0213-0688

E-mail: wmcsameera@lowtem.hokudai.ac.jp

Research Interest

Quantum mechanics/molecular mechanics (QM/MM) methods.
Systematic determination of reaction mechanisms.
Computational Astrochemistry.
Computational Catalysis and Materials Science. 

Professional Profile

2023 Visiting Associate Professor, Institute for Chemical Research, Kyoto University, Japan.
2022 Visiting Professor, CY Cergy Paris Université, France.
2022 Senior Lecturer (Grade I) Department of Chemistry, University of Colombo, Sri Lanka.
2016 Assistant Professor, Institute of Low Temperature Science, Hokkaido University, Japan.
2014 JSPS fellowship Fukui Institute for Fundamental Chemistry, Kyoto University, Japan.
2013 Marie Curie ITN fellowship, Gothenburg University, Sweden.
2011 Postdoctoral fellow, Institute of Chemical Research of Catalonia, Spain.
2010 Postdoctoral fellow (EPSRC), Inorganic Chemistry Laboratory, University of Oxford, UK.
2009 Ph.D. in Computational Chemistry, School of Chemistry, University of Glasgow, UK.
2005 BSc (Hons) in Chemistry, University of Sri Jayewardenepura, Sri Lanka.

Selected Publications

(1) W. M. C. Sameera, Y. Sumiya, B. B. Skjelstad, S. Maeda, Automated Mechanism Discovery, Comprehensive Computational Chemistry, 2024, 4, 454-484.
(2) Ohki, K. Munakata, R. Hara, M. Kachi, K. Uchida, M. Tada, R. E. Cramer, W. M. C. Sameera, T. Takayama, Y. Sakai, S. Kuriyama, Y. Nishibayashi, K. Tanifuji, Nature, 2022, 607, 86-90.
(3) W. M. C. Sameera, Y. Takeda, Y. Ohki. Transition Metal Catalyzed Cross-coupling and Nitrogen Reduction Reactions: Lessons from Computational Studies. Advances in Organometallic Chemistry, 2022, 78, 35-78.
(4) W. M. C. Sameera, B. Senevirathne, T. Nguyen, Y. Oba, A. Ishibashi, M. Tsuge, H. Hidaka, N. Watanabe, Front. Astron. Space Sci. 2022, 9, 890161.
(5) Y. Takeda, W. M. C. Sameera*, S. Minakata. Acc. Chem. Res. 2020, 53, 1686-1702.
(6) W. M. C. Sameera, F. Maseras. J. Chem. Inf. Model. 2018, 58, 1828-1835.
(7) W. M. C. Sameera, S. Maeda, K. Morokuma. Acc. Chem. Res. 2016, 49, 763-773.

Teaching

Computational Chemistry (BSc 3rd year)
Quantum Chemistry (BSc 4th year),
Computer programming in Chemistry (BSc 3rd year)
Computational Chemistry Practical Classes (BSc 3rd year).

Recent Presentations

(1) A systematic mechanistic survey on the reactions between OH radical and CH3OH on ice. Astrochemistry at high-resolution Faraday Discussion, Baltimore USA. 2023
(2) W. M. C. Sameera, Quantum chemical modeling of excited states and properties, Kwansei Gakuin University, Japan. 2023
(3) OH radical on ice: photodesorption and reactivity from quantum chemical calculations. Symposium on Next Generation Astrochemistry. Tokyo, Japan. 2023 
(3) Radical binding and radical reactions on interstellar ices: a combined experimental and quantum chemical study. Asia Pacific Conference of Theoretical and Computational Chemistry, APATCC-10, Vietnam. 2023
(4) Quantum chemical modelling of the radical chemistry on ice surfaces. Sapporo-Colombo-Gothenburg Astrochemistry meeting 2022, Gothenburg University, Sweden.  
(5) Radical processes on interstellar ices: A combined experimental and quantum chemical study. ACS Fall 2021 National Meeting in Atlanta, USA. (Poster)

Honors, Awards, & Fellowships

Japanese science exchange program, Japan Science and Technology Agency (JST), Sakura Science Program, Japan. (2023)
International Collaborative Research Program of Institute for Chemical Research (ICR), Kyoto University, Japan. (2022)
Open Partnership Joint Research Project between Hokkaido University (Japan) and Gothenburg University (Sweden), Japan Society for the Promotion of Science. (2022)
Grant-in-Aid for Transformative Research Areas (A), Ministry of Education, Culture, Sports, Science and Technology. Japan. (2021)
International Collaborative Research Program of Institute for Chemical Research (ICR), Kyoto University, Japan. (2021)
Grant-in-Aid for Scientific Research (C), Ministry of Education, Culture, Sports, Science and Technology. Japan. (2019)
Visiting scholar, University of Gothenburg, Sweden. (2017)
Visiting scholar, Department of Chemistry, University of Kelaniya, Sri Lanka. (2016)
Japan Society for the Promotion of Science postdoctoral fellowship, Japan. (2014)
Marie Curie ITN fellowship, University of Gothenburg, Sweden. (2013)
WATOC poster prize, World association of theoretical and computational chemists meeting, Spain. (2011)
CRC press award for the best poster, 7th Canadian computational chemistry meeting, (2009)
The Jim Gatheral Scholarship, University of Glasgow, United Kingdom. (2008)
WestCHEM postgraduate scholarship, University of Glasgow, United Kingdom. (2006)

Links

My chemistry family tree: CHEMISTRY TREE

Prof. John McGrady (Oxford University)
Prof. Feliu Maseras (Institut Català d'Investigació Química)
Prof. Gunnar Nyman (Göteborgs universitet)
Prof. Keiji Morokuma (Fukui Institute for Fundamental Chemistry)