Dr. Likai Du | Molecular Physics | Best Researcher Award

Jinzhou Medical University | China



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Dr. Likai Du's academic journey commenced at Shandong University, where he pursued his Bachelor of Science in Chemistry from 2004 to 2008. Building upon his undergraduate education, he continued his academic pursuits at the same institution, completing his Ph.D. in Theoretical Chemistry from 2008 to 2013. During his formative years, Dr. Du demonstrated a keen interest in theoretical chemistry, laying the groundwork for his future research endeavors.


Following the completion of his doctoral studies, Dr. Du embarked on a diverse range of professional endeavors. He began his research career as an Assistant Researcher at the Qingdao Institute of Bioenergy and Bioprocess Technology, CAS, where he delved into the intricacies of biomolecular systems' quantum chemistry and molecular dynamics. Subsequently, he transitioned to the role of an Associated Professor at the College of Informatics, Huazhong Agricultural University, where he expanded his expertise in theoretical chemistry and computational modeling. Dr. Du's academic journey also included a visiting scholar position at Taiwan National Chiao Tung University, enriching his research experience through international collaboration. Additionally, he engaged in collaborative projects with AI-driven companies, further broadening his research horizons before joining the College of Health Management at Jinzhou Medical University as an Associated Professor.


Dr. Du's research interests encompass a wide array of topics within THEORETICAL CHEMISTRY, with a focus on MOLECULAR PHYSICS. His notable contributions include pioneering work in MACHINE LEARNING and MOLECULAR FORCE FIELD for INTERMOLECULAR INTERACTIONS, elucidating complex catalytic reaction mechanisms using multi-scale QM/MM models, and advancing our understanding of nonadiabatic dynamics simulations and excited state calculations. His research has profound implications for various fields, including material science, drug design, and theoretical chemistry.


Dr. Du's research has left a lasting impact on the scientific community, evident through his numerous publications in esteemed journals and his involvement in prestigious research grants. His innovative approaches to understanding molecular interactions and dynamics have garnered recognition both nationally and internationally, positioning him as a leading authority in theoretical chemistry and molecular physics. Through his mentorship and collaboration, Dr. Du continues to inspire and influence the next generation of researchers, fostering a culture of academic excellence and innovation.


Dr. Du's research has been cited extensively in the academic community, reflecting the significance and relevance of his contributions to theoretical chemistry and molecular physics. His publications serve as foundational resources for researchers and scholars worldwide, shaping the trajectory of research in areas such as machine learning, quantum chemistry, and photochemistry.


As Dr. Du continues his academic journey, his legacy of excellence and innovation in theoretical chemistry and molecular physics will endure. His future contributions are poised to further advance our understanding of complex molecular systems, with a focus on interdisciplinary research and collaboration. Through his dedication to pushing the boundaries of scientific knowledge, Dr. Du will continue to shape the landscape of theoretical chemistry and molecular physics for years to come.


A polarizable ellipsoidal force field for halogen bonds 2013 (27)

An On-the-Fly Surface-Hopping Program JADE for Nonadiabatic Molecular Dynamics of Polyatomic Systems: Implementation and Applications   2015 (105)

Glycosidic-Bond Hydrolysis Mechanism Catalyzed by Cellulase Cel7A from Trichoderma reesei: A Comprehensive Theoretical Study by Performing MD, QM, and QM/MM Calculations  2010 (39)

Theoretical analysis of excited states and energy transfer mechanism in conjugated dendrimers  2014 (25)

Computational Investigation of Acene-Modified Zinc-Porphyrin Based Sensitizers for Dye-Sensitized Solar Cells  2015 (21)


Likai Du | Molecular Physics | Best Researcher Award

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