Presentation

Invited Talks (International)

• 1. S. Maeda, Reactivity Prediction Based on Quantum Chemical Calculations., ORCHEM 2024 (GDCh), Regensburg, Germany, September 9-11, 2024. (Plenary lecture)

  2. S. Maeda, TBA., 9th International Summer School on Chemoinformatics in Strasbourg, Strasbourg, France, June 24-28, 2024.

  3. S. Maeda, TBA, Chemistry@Sete meeting, Sète, France, June 2-6, 2024.

  4. S. Maeda, Reaction path network for predicting chemical reactions: Its calculation, analysis and database., SANKEN International Symposium, Awaji, Japan, January 11-12, 2024.

  5. S. Maeda, Ab Initio Chemical Reaction Design and Discovery., The 9th International Symposium on Transformative Bio-Molecules, Nagoya University, Japan, December 13, 2023.

  6. S. Maeda, Predicting a chemical reaction, its products, yields, and mechanisms by exploring quantum chemical potential energy surfaces., 8th Autumn School on Chemoinformatics 2023, Nara, Japan, November 28-30, 2023.

  7. S. Maeda, Ab Initio Reaction Discovery through Forward and Backward Kinetic Simulations., The 5th conference of Theory and Applications of Computational Chemistry (TACC), Hokkaido University, Japan, September 4-9, 2023. (Plenary lecture)

  8. S. Maeda, Reactivity Prediction through Quantum Chemical Calculations., Asiachem – 19th Asian Chemical Congress, Istanbul Technical University, Turkey, July 8-14, 2023. (Keynote lecture)

  9. S. Maeda, Quantum Chemical Exploration of Unexplored Chemical Reactions., ACS Publications Summit: The Journal of Physical Chemistry Letters, The University of Tokyo, Japan, September 23, 2022.

  10. S. Maeda, Exploring Paths of Chemical Reactions by the Artificial Force Induced Reaction Method., 12th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC) 2020, Vancouver, Canada, July 3-8, 2022. (Plenary lecture)

  11. S. Maeda, Designing Chemical Reactions Using Artificial Force Induced Reaction Method., 4th ICReDD International Symposium, (Online) Hokkaido University, Sapporo, Japan, March 12-13, 2022.

  12. S. Maeda, Development of Automatic Reaction Path Search Methods Toward Systematic Chemical Reaction Design and Discovery., Virtual Winter School of Computational Chemistry 2022, (Online), February 21-25, 2022.

  13. S. Maeda, Quantum chemistry aided retrosynthetic analysis using the artificial force induced reaction method., "Computational Chemistry for Pharmaceutical Route Development" in The International Chemical Congress of Pacific Basin Societies 2021 (Pacifichem 2021), (Online) Honolulu, Hawaii, USA, December 21-22, 2021.

  14. S. Maeda, Understanding and discovering new chemistries from reaction path networks obtained by the artificial force induced reaction (AFIR) method., "Theory and Computation for Complex Molecular Systems: (In Memory of late Prof. Keiji Morokuma)" in The International Chemical Congress of Pacific Basin Societies 2021 (Pacifichem 2021), (Online) Honolulu, Hawaii, USA, December 18-20, 2021.

  15. S. Maeda, Development of AFIR method toward design and discovery of unexplored chemical reactions., 3rd ICReDD International Symposium, (Online) Hokkaido University, Sapporo, Japan, February 22-24, 2021.

  16. S. Maeda, Exploring Synthetic Routes of Small Molecules through Quantum Chemical Calculations., The 8th French-Japanese Workshop on Computational Methods in Chemistry, Kumamoto University, Japan, March 19-20, 2020.

  17. S. Maeda, Finding chemical reactions from the reaction path network generated by the artificial force induced reaction method., The 18th Asian Chemical Congress (18th ACC), Taipei International Convention Center, Taiwan, December 8-12, 2019.

  18. S. Maeda, Understanding Reaction Mechanisms Using Reaction Path Networks Generated by the Artificial Force Induced Reaction Method., The Ninth Conference of the Asia-Pacific Association of Theoretical and Computational Chemists (APATCC), The University of Sydney, Australia, September 30 to October 3, 2019.

  19. S. Maeda, Systematic Generation and Analysis of Reaction Path Networks by the Artificial Force Induced Reaction Method., 10th Triennial Congress of the International Society for Theoretical Chemical Physics (ISTCP 2019), Tromsø, Norway, July 11-17, 2019.

  20. S. Maeda, Automated Generation and Analysis of Reaction Path Networks for Systematic Understanding of Reactivity in Complex Systems., XV INTERNATIONAL WORKSHOP ON QUANTUM REACTIVE SCATTERING (QRS2019 Workshop), Saitama University, Japan, July 1-5, 2019.

  21. S. Maeda, Reaction Path Network and Its Analysis: Toward Systematic Prediction of Chemical Reactions., 14th Hokkaido University–Nanjing University–NIMS/MANA Joint Symposium, Hokkaido University, Japan, December 7–8, 2018.

  22. S. Maeda, Drawing, Analyzing, and Using the Route Map of Chemical Reactions., The 2nd GI-CoRE GSQ, GSB, & IGM JOINT SYMPOSIUM: Quantum, Informatics, Biology & Medicine, Akira Suzuki Hall, Hokkaido University, Japan, August 7, 2018.

  23. S. Maeda, Artificial Force Induced Reaction (AFIR) Method: Its Implementation and Development., Computational Catalysis for Sustainable Chemistry, ICIQ Auditorium, Tarragona, Spain, June 13-15, 2018.

  24. S. Maeda, Mechanistic Studies on Organic and Photochemical Reactions using Automated Reaction Path Search Methods., Lecture at University of Strasbourg, Strasbourg, France, March 15, 2018.

  25. S. Maeda, Toward Systematic Understanding and Rational Design of Chemical Reactions: Development and Applications of Methods for Automated Reaction Path Search Based on Quantum Chemical Calculations., Lecture at University of Strasbourg, Strasbourg, France, March 8, 2018.

  26. S. Maeda, Systematic exploration of path networks of chemical reactions by the AFIR method implemented in the GRRM17 program., The Eighth Edition of Asia-Pacific Conference of Theoretical and Computational Chemistry (APCTCC 8), Bombay, India, December 15-17, 2017.

  27. S. Maeda, Ab initio global reaction route mapping in thermal and photochemical reactions., Car-Parrinello Molecular Dynamics in 2017 (CPMD 2017), Tsukuba, Japan, October 18-20, 2017.

  28. S. Maeda, Artificial Force Induced Reaction (AFIR) Method for Automated Search of Adiabatic and Nonadiabatic Pathways., 11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC) 2017, Munich, Germany, August 27 to September 1, 2017.

  29. S. Maeda, Artificial Force Induced Reaction Method for Systematic Exploration of Reaction Pathways in Molecules and Materials., The 9th Conference of the Asian Consortium on Computational Materials Science (ACCMS-9), Kuala Lumpur, Malaysia, August 8-11, 2017.

  30. S. Maeda, Automated Search for Nonradiative Pathways in Molecules and Organometallic Complexes., The 28th International Conference on Photochemistry (ICP 2017), Strasbourg, France, July 16-21, 2017.

  31. S. Maeda, Development of Automated Reaction Path Search Methods toward Systematic Understanding and Design of Organic Reactions., This lecture was delivered at 10 research institutes, Ludwig-Maximilians-Universität (München) on 10-Oct., Max-Planck-Institute fur Kohlenforschung (Düsseldorf) on 12-Oct., ETH (Zürich) on 14-Oct., Princeton Univ. on 17-Oct., Merck Research Laboratories on 19-Oct., MIT on 20-Oct., Harvard Univ. on 21-Oct., Caltech on 24-Oct., Univ. of California Berkeley on 25-Oct., Stanford Univ. on 26-Oct., in the lecture tour of the Merck-Banyu Lectureship Award (MBLA) 2016.

  32. S. Maeda, Global Reaction Route Mapping (GRRM) Strategy for Automated Exploration of Reaction Pathways., The 12th Hokkaido University–Nanjing University–NIMS/MANA Joint Symposium, Sapporo, Japan, July 29, 2016.

  33. S. Maeda, Exploration of Adiabatic and Nonadiabatic Channels in Organic Molecules and Organometallic Complexes., the Seventh Asia-Pacific Conference of Theoretical and Computational Chemistry (APCTCC 7), Kaohsiung, Taiwan, January 25-28, 2016.

  34. S. Maeda, Y. Harabuchi, M. Gao, G. Zeng, T. Taketsugu, Automated Exploration of Adiabatic and Nonadiabatic Channels in Organometallic Complexes., The International Chemical Congress of Pacific Basin Societies 2015 (Pacifichem 2015), Honolulu, Hawaii, USA, December 15-20, 2015.

  35. S. Maeda, Development of the Global Reaction Route Mapping (GRRM) Strategy toward Systematic Understanding of Organic and Photochemical Reactions., Spain-Japan Joint Symposium on Theoretical and Computational Chemistry of Complex Systems, ICIQ Auditorium, Tarragona, Spain, November 25-27, 2015.

  36. S. Maeda, Global Reaction Route Mapping (GRRM) Strategy for Systematic Understanding of Photochemical Reactions., The 6th JCS International Symposium on Theoretical Chemistry (JCS-2015), Smolenice Castle, Bratislava, Slovakia, October 11-15, 2015.

  37. S. Maeda, Development of Automated Reaction Path Search Methods and Their Applications to Photochemical Reactions., The 19th East Asian Workshop on Chemical Dynamics, Voyager Resort, Gold Coast, Australia, October 5-7, 2015.

  38. S. Maeda, Development of the Global Reaction Route Mapping Strategy for Catalysis., 3rd meeting on Challenges in Computational Homogeneous Catalysis, Lovik Conference Center, Stockholm, Sweden, September 3-4, 2015.

  39. S. Maeda, Development and Applications of Methods for Automated Search of Chemical Structures and Reaction Pathways., Second China-Japan-Korea Tripartite Workshop on Theoretical and Computational Chemistry (CJK-WTCC-II), RIKEN AICS, Kobe, Japan, January 20-23, 2015.

  40. S. Maeda, Automated Exploration of Chemical Structures and Reaction Pathways., The 2nd International Symposium for Young Chemists on Stimuli-ResponsiveChemical Species for the Creation of Functional Molecules, Osaka University, Toyonaka, Osaka, Japan, December 9-10, 2014.

  41. S. Maeda, Automated Search for Chemical Reaction Pathways with Quantum Chemical Calculations., Recent Advances in Modeling Rare Events: Methods and Applications (RARE2014), Vasundhara Sarovar Premiere Resort, Kerala, India, May 29 to June 1, 2014.

  42. S. Maeda, Systematic Exploration of Transition State Structures for Organic Reactions by the Artificial Force Induced Reaction (AFIR) Method., 5th JCS International Symposium on Theoretical Chemistry, Todai-ji Culture Center, Nara, Japan, December 2-6, 2013.

  43. S. Maeda, The GRRM Strategy for Finding Chemical Reaction Pathways: Applications to Organic Reaction, Catalysis, and Enzyme Catalysis., The Sixth Asia-Pacific Conference of Theoretical and Computational Chemistry (APCTCC 6), Gyeongju Hilton Hotel, Gyeongju, Korea, July 10-13, 2013.

  44. S. Maeda, Development of Automated Reaction Path Search Methods: Systematic Studies on the Mechanism of Chemical Reactions., 15th Japan-Korea Symposium on Molecular Science "Hierarchical Structure from Quantum to Functions of Biological Systems", Hotel Kitano Plaza Rokko-so, Kobe, Japan, July 3-5, 2013.

  45. S. Maeda, Global Reaction Route Mapping Strategy for Systematic Prediction of Reaction Mechanisms in Homogeneous Catalysis., Challenges in Computational Homogeneous Catalysis - 2013, Långholmen Conference Center, Stockholm, Sweden, June 13-14, 2013.

  46. S. Maeda, Development and Applications of Automated Reaction Path Search Methods: The Global Reaction Route Mapping (GRRM) Strategy., The 10th Fukui Center Seminar, Fukui Institute for Fundamental Chemistry, Kyoto University, Japan, March 21, 2013.

  47. S. Maeda, Applications of Automated Reaction Path Search Methods to Catalysis and Enzyme Catalysis., Second International Symposium on Computational Sciences (ISCS2012), Tian Lin Hotel, Shanghai, China, August 13-15, 2012.

  48. S. Maeda, Finding Chemical Reaction Pathways: Toward Systematic Prediction of Reaction Mechanisms., FISTC: Fukui International Symposium for Theoretical and Computational Chemistry, Kyoto, Japan, August 31 to September 1, 2011.

  49. S. Maeda, Finding Unexpected Reaction Pathways using Automated Reaction Route Finders., The World Association of Theoretical and Computational Chemists (WATOC) 2011, the Auditorio de Galicia and the Faculty of Medicine of the University of Santiago in Santiago de Compostela, Spain, July 17-22, 2011.

  50. S. Maeda, K. Morokuma, A New Paradigm for Finding Reaction Pathways for Organic Multicomponent Reactions., The First International Symposium on Computational Sciences (ISCS2011), Shanghai, China, April 18-21, 2011.

  51. S. Maeda, K. Ohno, K. Morokuma, Development of Automated Reaction Path Search Methods and Applications to Hydrogen-bonded Clusters., Molecular Photoscience Research Center International Symposium "New Horizons of Cluster Chemistry", Kobe University, Japan, October 9-10, 2010.