Presentations

2023

• Multicomponent reactions on ice at low temperatures, Sapporo-Colombo-Gothenburg Astrochemistry Meeting 2023, Gothenburg University, Sweden. (Lecture)

• Quantum chemical modeling of excited states and properties, Kwansei Gakuin University, Japan. (Invited presentation)

• OH radical on ice: photodesorption and reactivity from quantum chemical calculations. Symposium on Next Generation Astrochemistry, Tokyo, Japan. (Lecture)

• 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. (Invited presentation)

• A systematic mechanistic survey on the reactions between OH radical and CH3OH on ice. Astrochemistry at high resolution Faraday Discussion. Maryland, United States. (Lecture)


2022

• Radical processes on interstellar ices: a combined experimental and quantum chemical study. Symposium on Next Generation Astrochemistry, Japan. (Lecture)

• Quantum chemical modeling of the radical chemistry on ice surfaces, Sapporo-Colombo-Gothenburg Astrochemistry meeting 2022, Gothenburg University, Sweden. (Lecture)


2021

• Quantum chemical determination of the complex organic molecules formation in the interstellar medium, Next Generation Astrochemistry Symposium, Japan. (Lecture)

• Radical species on interstellar ices: a quantum chemical study. The 15th annual meeting for Japan Society for Molecular Science 2021. (Lecture)


2020

• Radical species on interstellar ices: a quantum mechanics/molecular mechanics study. CICO-VICO Fall 2020 Workshop, Chalmers University, Sweden. (Lecture)

• Advances and challenges in modeling reaction mechanisms. Department of Chemistry School of Life Sciences, University of Sussex, UK. (Invited presentation)

• On the mechanistic puzzles of homogeneous catalysis. Institute for Materials Chemistry and Engineering, Kyushu University, Japan. (Invited presentation) 2019

• Exploring mechanistic puzzles in Pd-catalyzed aziridine ring-opening reactions. The Asia-Pacific Association of Theoretical and Computational Chemists (APATCC), Sydney, Australia. (Invited presentation)


2018

• Radical species on interstellar ices: some clues from a quantum mechanics/molecular mechanics study. International workshop on interstellar matter 2018, Hokkaido University, Japan. (Invited presentation)

• Palladium-catalyzed regioselective and stereospecific ring-opening cross-coupling of 2-arylaziridines: computational studies, University of Sydney, Australia. (Invited presentation)

• Computational studies of Fe-catalyzed C-C bond formation reactions. The 43rd International Conference on Coordination Chemistry (ICCC 2018), Sendai, Japan. (Lecture)

• On the selectivity of the palladium-catalyzed aziridine ring-opening reactions, Fukui Institute for Fundamental Chemistry, Kyoto University, Japan. (Invited presentation)

• A hybrid QM/MM approach to calculate binding energies of radical species on crystalline water ice. Quantum Chemistry, Dynamics, and Reaction Modeling for Molecules and Materials in Astrophysical Environments, 255th National Meeting, New Orleans, LA, USA. (Invited presentation)


2017

• On the mechanism and selectivity of transition metal-catalyzed N-N and C-C bond formation reactions. Asia pacific conference in theoretical and computational chemistry (APCTCC8), Mumbai, India. (Invited presentation)

• On the selectivity of transition metal catalysis: DFT and MC-AFIR studies, International conference on theoretical and high-performance computational chemistry 2017, Hangzhou, China. (Lecture)

• Computational studies on the catalytic and photophysical properties of transition metal complexes, Department of Chemistry, Zhejiang Sci-Tech University, China. (Invited presentation)

• Computational catalysis using quantum mechanics/molecular mechanics (QM/MM) and artificial forceinduced reaction (AFIR) methods, BIT's 8th Annual Global Congress of Catalysis 2017 (GCC-2017), Shanghai, China. (Invited presentation)

• Systematic determination of complex reaction mechanisms. School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore (Invited presentation)

• Mechanistic studies on palladium-catalyzed regioselective and stereospecific aziridine ring- opening cross-coupling reactions. The 16th Korea-Japan symposium on catalysis and the 3rd international symposium of institute for catalysis. Japan. (Lecture)

• Computational study on the mechanism of Ag-catalyzed N-N bond formation reactions, The 19th international conference on computational catalysis, Kyoto, Japan. (Lecture)

• Interstellar radical species binding on hexagonal water ice (Ih): a new quantum mechanics/molecular mechanics approach, Department of Chemistry and Molecular Biology, University of Gothenburg, Sweden. (Invited presentation)

• Computational studies on the reactivity, selectivity, and photophysical properties of transition metal complexes, University of Gothenburg, Sweden. (Invited presentation)


2016

• Computational catalysis using density functional theory (DFT) and artificial force induced reaction (AFIR) method, The 10th Annual Meeting of Japan Society for Molecular Science, Kobe, Japan. (Lecture)

• Artificial force induced reaction method for mechanistic and selectivity studies of transition metal complexes and clusters, The 7th Asia-Pacific conference of theoretical and computational chemistry (APCTCC 7), Kaohsiung, Taiwan. (Invited presentation)

• Artificial force induced reaction method for computational studies of transition metal complexes, Department of Chemistry and Molecular biology, University of Gothenburg, Sweden. (Invited presentation)


2015

• Artificial force induced reaction method for mechanisms involving transition metal complexes and clusters, The 13th Fukui Centre Seminar, Kyoto University, Japan. (Invited presentation)

• Interstellar radical species binding on ices: a hybrid QM/MM approach, Tokyo Institute and Technology, Japan. (Invited presentation)


2013

• Binding energy of OH radicals on ice, The Chemical Cosmos annual meeting, Windsor, United Kingdom. (Lecture)

• Density functional theory and density functional theory/molecular mechanics methods for modern homogeneous catalysis, Department of Chemistry and Molecular biology, University of Gothenburg, Sweden. (Lecture)


2012

• Nitrene insertion reactions: concomitant involvement of the singlet and triplet pathways. CECAM workshop on the spin states in biochemistry and inorganic chemistry, Zaragoza, Spain. (Lecture)

• Mechanistic insights of nitrene insertion reactions catalyzed by metal-homoscorpionate complexes. The 40th international conference in coordination chemistry (ICCC40), Valencia, Spain. (Lecture)


2010

• Computational chemistry: applications of molecular quantum mechanics, Department of Chemistry, Open University, Colombo, Sri Lanka. (Invited presentation)

• Electronic structure of transition metal ions and clusters, Department of Chemistry, University of Sri Jayewardenepura, Colombo, Sri Lanka. (Invited presentation)


2009

• Biomimetic water oxidation: some clues from computational chemistry, The 4th WestCHEM research day, University of Glasgow. (Lecture)

• Computational studies of Mn-based water oxidation catalysts, IUPAC congress, Glasgow, United Kingdom. (Lecture)


2008

• Computational studies of the biomimetic water oxidation catalysts, Structure and material chemistry seminars, WestCHEM Department of Chemistry, University of Glasgow, University of Glasgow. (Lecture)

• A computational study of the oxygen evolving Mn(V)-oxo porphyrin dimer complex: Implications for the catalytic oxidation of water, Structure and Material Chemistry seminars, WestCHEM Department of Chemistry, University of Glasgow. (Lecture)


2007

• Computational studies of the biomimetic water oxidation catalysts, Department of Chemistry, University of Sri Jayewardenepura, Colombo, Sri Lanka, December. (Invited talk)