2024
HYIL-66: On May 10th, Prof. Shuang-Lin Qu (Hunan University) gave an invited seminar titled “Applications of Computational Chemistry in Homogeneous Catalysis & Solid Waste Utilization from a Chemical Perspective”.
HYIL-65: May 10th Prof. Xing Chen (Tianjin University) gave an invited seminar titled “Theoretical study on the near-field response of surface plasmon coupled molecules”.
HYIL-64: Apr. 19th Prof. Dai-Qian Xie (Nanjing University) gave an invited seminar titled “Quantum dynamics of collision energy transfer between gas-phase small molecules and cold molecular chemistry”.
HYIL-63: Apr. 19th Prof. Wei-Hai Fang (Beijing Normal University) gave an invited seminar titled “Progresses in quantum computational chemistry”.
HYIL-62: Jan. 3nd Dr. Shao-Qi Zhan (Uppsala University, Sweden) gave an invited seminar titled “Modeling of molecular catalysts, surface reactions, and supermolecular dynamics”.
2023
HYIL-61: Oct. 29th Prof. Xiao He (East China Normal University ) gave an invited seminar titled “Recent advances in quantum fragmentation approach to large molecules and condensed-phase systems”.
HYIL-60: Oct. 24th Prof. Evert Jan Meijer (University of Amsterdam, Netherlands) gave an invited seminar titled “Role of solvent and ions in chemical conversions”.
HYIL-59: Oct. 19th Prof. Fahmi Himo (Stockholm University, Sweden) gave an invited seminar titled “The quantum chemical cluster approach in biocatalysis”.
HYIL-58: Oct. 14th Prof. Hanyu Gao (Hong Kong University of Science and Technology) gave an invited seminar titled “Machine learning for chemical synthesis planning and development”.
HYIL-57: Oct. 13th Prof. Pedro Fernandes (University of Porto, Portugal) gave an invited seminar titled “Structure requsites for enzyme catalysis: beyond the active site pre-organization model”.
HYIL-56: Oct. 13th Prof. Feliu Maseras (Institute of Chemical Research of Catalonia, Spain) gave an invited seminar titled “A DFT approach to multimetallic cooperative catalysis”.
HYIL-55: Oct. 13th Prof. Haichao Xu (Xiamen University) gave an invited seminar titled “Organic electrosynthesis”.
HYIL-54: Aug. 3rd Prof. Binju Wang (Xiamen University) gave an invited seminar titled “Multiscale simulations on catalysis of metalloenzymes: oxygen activation and spin-regulated electron transfer”.
HYIL-53: Aug. 3rd Prof. Rui Cao (Shaanxi Normal University) gave an invited seminar titled “Metal porphyrin catalyzed water oxidation reactions”.
HYIL-52: Aug. 2nd Prof. Jun Gao (Huazhong Agricultural University) gave an invited seminar titled “Multiscale modeling of energy transfer and quinone/quinol exchange in photosynthetic systems”.
HYIL-51: Aug. 2nd Prof. Chaoyuan Zhu (National Yang Ming Chiao-Tung University) gave an invited seminar titled “Global switching algorithm for trajectory surface hopping molecular dynamics simulation within time dependent density functional theory”.
HYIL-50: May. 19th Prof. Rajeev Prabhakar (University of Miami) gave an invited seminar titled “Roles of Distinct Chemical Factors in Hydrolysis Catalyzed by Metalloenzymes and their Synthetic Analogues”.
HYIL-49: May. 12th Prof. Yan Zhang (Tianjin University) gave an invited seminar titled “Z base DNA synthetase and new enzymes for purine degradation”.
HYIL-48: Apr. 24th Prof. Shu-Xian Hu (University of Science and Technology Beijing) gave an invited seminar titled “Theoretical Study on Chemical Bonding of Plutonium”.
HYIL-47: Apr. 24th Prof. Qi Zhang (Fudan University) gave an invited seminar titled “Function and catalytic mechanism of SAM radical enzymes”.
HYIL-46: Mar. 25th Prof. Xiao-Jun Wu (University of Science and Technology of China) gave an invited seminar titled “Simulations and Designs of Materials”in the undergraduate course “Discussions of Chemistry Frontiers”.
HYIL-45: Feb. 22nd Prof. Xiao-Tian Qi (Wuhan University) gave an invited seminar titled “Theoretical studies on mechanisms of organic reactions”.
HYIL-44: Feb. 22nd Prof. Zhi-Han Zhang (Central China Normal University) gave an invited seminar titled “Mechanistic investigation of open-shell systems: from radical reactions to sustainable metal catalysis”.
HYIL-43: Jan. 12th Prof. Bin-Ju Wang (Xiamen University) gave an invited seminar titled “Theoretical studies on catalytic mechanisms of metalloenzymes”.
2022
HYIL-42: Dec. 29th Prof. Zhuo-Feng Ke (Sun Yat-sen University) gave an invited seminar titled “Precise design in sustainable catalysis: inspiration from theoretical calculations and electronic structures”.
HYIL-41: Dec. 17th Prof. Ying Zhang (Fudan University) gave an invited seminar titled “Methods and applications of density functional theory”in the undergraduate course “Discussions of Chemistry Frontiers”.
HYIL-40: Nov. 26th Prof. Gang-Long Cui (Beijing Normal University) gave an invited lecture titled “Theory and computational modeling of photochemistry” in the undergraduate course “Discussions of Chemistry Frontiers”.
HYIL-39: Sep. 20th Prof. Hai Lin (University of Colorado Denver, USA) gave an invited seminar titled “Adaptive Multiscale Simulations for Diffusive Systems”.
HYIL-38: Jul. 6th Ass. Prof. Lizhe Zhu (Chinese University of Hong Kong (Shenzhen)) gave an invited seminar titled “Path method in biomolecular simulations”.
HYIL-37: Jun. 28th Prof. Jun Cheng (Xiamen University) gave an invited seminar titled “Theoretical and Computational Electrochemistry”.
HYIL-36: Jun. 28th Prof. Chao Zhang (Uppsala University, Sweden) gave an invited seminar titled “Finite-field DFTMD Modelling of the Protonic Double Layer and Beyond”.
HYIL-35: Jan. 5th Dr. You Lu (Senior Computational Scientist, STFC Daresbury Laboratory, UK) gave an invited seminar titled “Showcasing Py-ChemShell v21—Introducing the Brand New Biomolecular Simulation Workflow”.
2021
HYIL-34: Dec. 19th Prof. Dong Gu (Wuhan University) gave an invited seminar titled “New mesoporous materials: synthesis, catalysis, and energy applications”.
HYIL-33: Oct. 25th Prof. Fahmi Himo (Stockholm University, Sweden) gave an invited seminar titled “Mechanisms of Metal-Dependent Decarboxylases from Quantum Chemical Calculations”.
HYIL-32: Oct. 10th Prof. Rui Cao (Shanxi Normal University) gave an invited seminar titled “Mechanism of molecular electrocatalytic water oxidation”.
HYIL-31: Jul. 8th Prof. Wen-Guang Wang (Beijing Normal University) gave an invited seminar titled “Biomimetic metal-ligand cooperative catalysis: reaction and mechanism”.
HYIL-30: Jul. 8th Prof. Ming-Tian Zhang (Tsinghua University) gave an invited seminar titled “Water oxidation: catalysis and mechanism”.
HYIL-29: May 20th Prof. Genping Huang (Tianjin University) gave an invited seminar titled “Computational Homogeneous Catalysis: Mechanism, Reactivity and Selectivity“.
2020
HYIL-28: Oct. 13th Prof. Xuebo Chen (Beijing Normal University) gave an invited seminar titled “Electron and Energy Transfer Theory in Visible-Light Photocatalysis“.
2019
HYIL-27: Dec. 24th Prof. Aitao Li (Hubei University) gave an invited seminar titled “P450 monooxygenase“.
HYIL-26: Dec. 9th Prof. Jun Zhu (Xiamen University) gave an invited seminar titled “Past and Future of Aromaticity”.
HYIL-25: Dec. 7th Prof. Yajun Liu (Beijing Normal University) gave an invited seminar titled “Bioluminence”.
HYIL-24: Dec. 7th Prof. Haiyan Liu (University of Science and Technology of China) gave an invited seminar titled “Protein design”.
HYIL-23: Oct. 28th Prof. Vicente Moliner (Universitat Jaume I, Spain) gave an invited seminar titled “QM/MM Computational Studies of Enzymatic Catalysis: Towards the Design of New Biocatalysts”.
HYIL-22: Oct. 15th Prof. Mei Wang (Dalian University of Science and Technology) gave an invited seminar titled “Copper-catalyzed water oxidation and reduction”.
HYIL-21: Jul. 8th Prof. Raja Angamuthu (Indian Institute of Technology Kanpur) gave an invited seminar titled “Sustainable Activation of SO2 Using Organic Hydride Donors through SO2 Coupled Electron Transfer”.
HYIL-20: Jun. 25th Prof. Yan Zhao (Wuhan University) gave an invited seminar titled “Developments and applications of quantum chemical methods”.
HYIL-19: Jun. 25th Prof. Ming Lei (Beijing University of Chemical Engineering) gave an invited seminar titled “Transition metal-catalyzed asymmetric hydrogenations”.
HYIL-18: Jun. 19th Prof. Yonggui Zhou (Dalian Institute of Chemical Physics) gave an invited seminar titled “biomimetic chiral reduction based on coenzyme NADPH”.
HYIL-17: May 10th Prof. Jun Jiang (University of Science and Technology of China) gave an invited seminar titled “Diopole moment in functional materials”.
2018
HYIL-16: Dec. 5th Prof. Kenneth M. Merz Jr. (Michigan State University, USA) gave an invited seminar titled “Role of Dynamics in Enzymatic Electrophilic Aromatic Substitution”.
HYIL-15: Jul. 10th Prof. Edina Rosta (King’s College London, UK) gave an invited seminar titled “Dynamics and Reaction Mechanism of Phosphate Catalytic Enzymes”.
HYIL-14: Jun. 20th Prof. Zhixiang Yu (Peking University) gave an invited seminar titled “Proton Transfer Mechanisms and Developing Ring Formation Reactions”.
HYIL-13: Mar. 15th Prof. Mu-Hyun Baik (Korea Advanced Institute of Science and Technology, KAIST, Korea）gave an invited seminar titled “Computer Assisted Design of New Catalytic Reactions: Catalytic Borylation of Methane and Other Reactions”.
2017
HYIL-12: Dec. 21st Prof. Pinghua Liu (Boston University, USA）gave an invited seminar titled “Synthetic biology: from small molecular discovery, production to the creating of conditional knockout animal models”.
HYIL-11: Nov. 23rd Prof. Walter Thiel (Max-Planck-Institut für Kohlenforschung, Germany）gave an invited seminar titled “Quantum Chemistry: Status and Perspectives”.
HYIL-10: Nov. 21st Prof.Evert-Jan Meijer (University of Amsterdam, Netherlands）gave an invited seminar titled “Modeling Catalytic Reactions in an Aqueous Environment”.
HYIL-9: Oct. 31st Prof. Odile Eisenstein (University of Montpellier, France) gave an invited seminar titled “Have 13C NMR chemical shifts predictive power in catalysis?”.
HYIL-8: Oct. 16th Prof. Weihai Fang (Beijing Normal University) gave an invited seminar about “Quantum trajectory mean-field theory”.
HYIL-7: Sep. 28th Prof. Carmay Lim (Institute of Biomedical Sciences, Academia Sinica) gave an invited seminar titled “Principles Governing Biological Processes: Applications to drug design and drug target identification”.
HYIL-6: May 26th Prof. Zhixiang Wang (University of Chinese Academy of Sciences) gave an invited seminar titled “The Power of Computational Quantum Chemistry (CQC): Understanding and Prediction”.
2016
HYIL-5: Oct. 9th Prof. Per Siegbahn (Stockholm University, Sweden) gave an invited seminar titled “Methods and models for investigating mechanisms of redox-active enzymes”.
HYIL-4: Jul. 12th Dr. Xiang Sheng (Stockholm University, Sweden) gave an invited seminar titled “Theoretical Study of Enzyme Promiscuity”. Dr. Likai Du (Huazhong Agricultural University) gave an invited seminar about dynamics of excited states.
HYIL-3: Apr. 29th Prof. Qinggang Wang (Qingdao Institute of Bioenergy and Bioprocess Technology) gave an invited seminar about catalytic asymmetric Mannich reactions.
2015
HYIL-2: Oct. 23rd Dr. Xingrui Cao (Xiamen University) gave an invited seminar about nanocatalysis.
HYIL-1: Sep. 30th Prof. Jeremy Harvey (KU Leuven, Belgium) gave an invited seminar titled “Exploring Organic and Organometallic Chemistry with Computational Methods: Structure and Reactivity”.