Wolfgang Quapp | Theoretical Chemistry | Best Researcher Award

Published on by Analytical Chemistry

Dr. Wolfgang Quapp | Theoretical Chemistry | Best Researcher Award

Leipzig University, Germany

👨‍🎓Profiles

🎓 Early Academic Pursuits

He was born on August 23, 1947, in Waltersdorf near Greiz in Thüringen, Germany. His academic journey began in 1966 at the Universität Leipzig, where he pursued a rigorous course in mathematics, culminating in 1973. His doctoral work, completed in 1982, focused on the singular initial value problem of the Euler-Poisson-Darboux equation, investigating the continuity of solution operators and their mathematical properties—a topic reflecting a deep engagement with applied mathematical physics.

🧪 Professional Endeavors

Dr. Quapp’s professional career spanned nearly four decades at Universität Leipzig, where he served from 1973 until his retirement in 2012. Despite a temporary hiatus due to an 18-month military service between 1973 and 1975, he remained an integral figure in Leipzig’s academic and research landscape. His career included international academic collaborations, including guest positions at prestigious institutions such as VIK Dubna near Moscow and the University of Leningrad under Prof. Dr. A.A. Kiselev, as well as with Prof. Dr. M. Winnewisser in Gießen.

🔬 Contributions and Research Focus

Dr. Quapp’s research is renowned for bridging mathematics and theoretical chemistry. His work delves into mathematical methods in theoretical chemistry, quantum chemistry, and molecular physics. A significant focus has been the analysis of potential energy surfaces, valley-ridge inflection points, and reaction path bifurcations—critical to understanding molecular mechanisms and chemical reactions. Since 2010, he has collaborated extensively with Prof. Dr. J.M. Bofill in Barcelona, contributing to the intersection of chemical reaction theory and differential geometry.

🌍 Impact and Influence

By 2024, Dr. Quapp had authored over 120 scientific publications, presented 75 talks or posters, and conducted 190 peer reviews for 70 esteemed journals, underlining his influence as both a thought leader and a dedicated academic community contributor. His insights have shaped modern understanding in computational chemistry and mathematical modeling of complex chemical systems.

📚 Academic Cites and Recognition

Dr. Quapp is a respected member of several scholarly bodies, including the Leibniz-Sozietät Berlin, the Deutsche Mathematiker-Vereinigung, the Deutsche Bunsengesellschaft für Physikalische Chemie, and the Ostwald-Gesellschaft. These memberships reflect his stature in both the mathematical and physical chemistry communities. His works are widely cited, and his academic website catalogues his prolific output: List of Activities.

🧰 Technical Skills

Possessing strong analytical and computational skills, Dr. Quapp has contributed to solving nonlinear partial differential equations, the geometric theory of dynamical systems, and computational modeling in chemistry. His ability to apply high-level mathematical techniques to chemical problems highlights his interdisciplinary mastery.

👨‍🏫 Teaching Experience

During his tenure at Universität Leipzig, Dr. Quapp was not only a researcher but also a mentor and educator, guiding generations of students in the complex interplay between mathematics and chemistry. His teaching helped bridge disciplinary boundaries and inspire future scholars to pursue rigorous theoretical investigations.

🏆 Legacy and Future Contributions

Though formally retired since 2012, Dr. Quapp continues to collaborate internationally and publish influential work. His legacy is one of cross-disciplinary innovation, scholarly rigor, and mentorship. His ongoing collaboration with researchers like Prof. Bofill ensures that his work will continue to influence the fields of quantum chemistry and mathematical modeling for years to come.

📖Notable Publications

Comment to: “Topology of molecular deformations induces triphasic catch bonding in selectin–ligand bonds”
Authors: W Quapp, J.M. Bofill
Journal: bioRxiv, Preprint ID 2024.08.21.608529
Year: 2024

Shaping Reactions: The Exciting World of Mechanochemistry and Molecular Interactions
Authors: W Quapp, J.M. Bofill
Year: 2024

Altering Selectivity in the Tug-of-War Mechanism by Mechanochemistry – with an Explanation of Catch Bond Behavior
Authors: W Quapp, J.M. Bofill
Journal: Foundations, Volume 1, Pages 1–26
Year: 2023

An algorithm to find the optimal oriented external electrostatic field for annihilating a reaction barrier in a polarizable molecular system
Authors: J.M. Bofill i Villà, M. Severi, W. Quapp, J. Ribas Ariño, I.P.R. Moreira, and others
Journal: Journal of Chemical Physics, Volume 159, Pages 1–19
Year: 2023

Filip Rękas | Computational Modeling | Best Researcher Award

Published on by Analytical Chemistry

Mr. Filip Rękas | Computational Modeling | Best Researcher Award

Rzeszów University of Technology, Poland

👨‍🎓Profiles

🎓 Early Academic Pursuits

Mr. Filip Rękas began his academic journey at the Rzeszów University of Technology in Poland, where he earned both his Bachelor of Engineering and Master of Science in Engineering in Chemical Technology. He graduated with the highest distinction (5.0 / A) for his master’s degree. His early interests centered on polymer synthesis, process modeling, and Monte Carlo simulations, which laid the groundwork for his computational research career.

🧪 Professional Endeavors

Currently a PhD student in Chemical Engineering, Mr. Rękas focuses on advanced computational techniques, particularly the integration of machine learning into chemical process modeling and optimization. A self-taught programmer, he independently develops customized simulation software and machine learning models that bridge the gap between chemical engineering and artificial intelligence. His research embodies an interdisciplinary approach, combining classical engineering, computer science, and applied mathematics.

🔬 Contributions and Research Focus

Mr. Rękas specializes in machine learning applications for chemical engineering, with a specific focus on physics-informed neural networks (PINNs) for solving complex partial differential equations. His models, named A1 and A2, have demonstrated the ability to predict concentration profiles in gradient liquid chromatography (GLC) under various elution conditions. These include nonlinear gradients, fast and slow gradient adjustments, and systems with mass transfer resistances. By embedding system dynamics into the loss functions of the neural networks, he achieved high prediction accuracy while reducing computation time by a factor of 272 compared to the OCFE method—highlighting his contributions to real-time process optimization.

🤝 Collaborations

Mr. Rękas collaborates with several prominent researchers. He works closely with Prof. Krzysztof Kaczmarski, an internationally recognized expert in chromatographic modeling and process scale-up, and with Dr. Eng. Marcin Chutkowski, a specialist in powder process modeling using the Discrete Element Method (DEM). Their joint research involves applying machine learning to enhance gradient liquid chromatography. Additionally, he collaborates with Prof. Jaromir Lechowicz on modeling polymerization and degradation phenomena, using Monte Carlo simulations and artificial intelligence for advanced material behavior predictions.

🌍 Impact and Influence

Although early in his research career, Mr. Rękas has already contributed to high-impact computational methods that address complex chemical systems. His innovative use of machine learning in chemical process engineering demonstrates potential for revolutionizing process design and optimization in industry and academia. His work significantly reduces simulation times and enhances accuracy, which is critical for scalable and sustainable chemical manufacturing.

📚 Academic Citations and Recognition

Mr. Rękas has published one peer-reviewed journal article and contributed a chapter to a scientific monograph (ISBN: 978-83-67881-52-4). While his citation count currently stands at 1, his work on PINNs and AI-driven chromatography modeling is rapidly gaining attention in specialized research communities.

🛠️ Technical Skills

He possesses extensive programming and modeling skills, with a focus on physics-informed neural networks, graph neural networks (GCNs, GATs), recurrent networks (RNNs, LSTMs, GRUs), XGBoost, and SVMs. His technical toolkit includes Monte Carlo simulations, process modeling frameworks, and custom algorithm development—demonstrating both depth and versatility in computational chemical engineering.

👨‍🏫 Teaching and Mentorship

Though not formally a lecturer, Mr. Rękas actively shares his expertise with peers and junior researchers in machine learning applications and scientific programming, contributing to knowledge exchange in research groups and seminars within his university.

🌟 Legacy and Future Contributions

With a strong foundation in both chemical engineering and artificial intelligence, Mr. Rękas is poised to become a leading figure in data-driven chemical process innovation. His future goals include expanding the use of neural networks in real-time industrial systems, enhancing predictive modeling in chromatography and polymer science, and contributing to the broader adoption of AI in engineering. His work exemplifies a new generation of scientists blending scientific rigor with computational agility.

📖Notable Publications

Application of physics-informed neural networks to predict concentration profiles in gradient liquid chromatography
Authors: Filip Rękas, Marcin Chutkowski, Krzysztof Kaczmarski
Journal: Journal of Chromatography A
Year: 2025

 

Pengfei Li | Theoretical Chemistry | Best Researcher Award -1929

Published on by Analytical Chemistry

Prof. Pengfei Li | Theoretical Chemistry | Best Researcher Award

Shanghai Institute of Technical Physics, Chinese Academy of Sciences, China

👨‍🎓Profiles

🎓 Early Academic Pursuits

Prof. Pengfei Li’s journey in scientific research has been deeply rooted in environmental physics and remote sensing. His passion for atmospheric studies and hyperspectral technologies developed during his formative academic years, where he excelled in blending physical science with environmental applications. His academic path ultimately led him to become a key researcher at the prestigious State Key Laboratory of Infrared Physics under the Shanghai Institute of Technical Physics, part of the Chinese Academy of Sciences.

🧑‍💼 Professional Endeavors

Currently, as a Research Fellow, Prof. Li is a leading figure in satellite-based atmospheric monitoring. His role includes spearheading research on weak gas emissions detection, a crucial area for tackling global issues like climate change and environmental pollution. His leadership in the lab is marked by interdisciplinary integration, where hyperspectral satellite technology, data assimilation, atmospheric modeling, and artificial intelligence (AI) converge to address modern environmental challenges.

🔬 Contributions and Research Focus

Prof. Li’s research is at the intersection of hyperspectral remote sensing and AI-driven environmental monitoring. His team is developing next-generation techniques for satellite-based detection of weak gas emissions, aimed at pushing the detection limits in extreme environments. This work also involves defining payload specifications for future hyperspectral satellites. The outcomes of his research hold significant relevance for addressing atmospheric pollution, climate change, and homeland security threats, providing critical insights into satellite system design and operational strategies.

🌍 Impact and Influence

With over 50 SCI-indexed publications, including 20+ first-author or corresponding-author papers in leading journals such as PNAS and One Earth, Prof. Li has made a global impact. His research has informed both the academic community and policymakers, particularly in the realms of climate change mitigation, environmental monitoring, and satellite payload engineering. His work is frequently showcased at international conferences like the United Nations Climate Change Conference, AMS Annual Meeting, and the Goldschmidt Conference, where he has delivered numerous invited talks.

🏆 Honors and Leadership Roles

Prof. Li was selected for the prestigious Chinese Academy of Sciences “Hundred Talents Program” (Category B), recognizing his innovative research and leadership potential. Beyond research, he plays a pivotal role as a review expert for China’s National Key R&D Program and serves on scientific committees, including as the Deputy Secretary-General of the Hyperspectral Remote Sensing Technology and Application Professional Committee under the China Association for Remote Sensing Applications.

📚 Academic Citations

Prof. Li’s publications are highly cited within the fields of environmental monitoring, satellite remote sensing, and atmospheric sciences, reflecting the value and influence of his contributions on an international scale. His research continues to shape the discourse around climate resilience, pollution tracking, and advanced remote sensing methods.

🛠️ Technical Skills

His technical expertise includes:  Hyperspectral satellite data processing, Atmospheric modeling and data assimilation, AI and machine learning for environmental monitoring, Payload design and specification for next-generation satellites, Quantitative remote sensing and geospatial analysis.

👨‍🏫 Teaching & Mentoring

In addition to research, Prof. Li is actively involved in mentoring graduate students and early-career scientists, fostering a culture of innovation and collaboration in hyperspectral remote sensing. His guidance has produced a growing cadre of young scientists contributing to China’s leadership in satellite-based environmental science.

🚀 Vision and Future Contributions

Prof. Li’s future goals include expanding the applications of hyperspectral technologies to global-scale monitoring of greenhouse gases and pollutants, developing real-time AI-driven detection frameworks, and enhancing China’s position in next-gen satellite missions. His work is set to continue making a transformative impact on how we monitor and respond to environmental and security-related atmospheric events.

📖Notable Publications

The effectiveness of solar radiation management using fine sea spray across multiple climatic regions
Authors: Z Song, S Yu, P Li, N Yao, L Chen, Y Sun, B Jiang, D Rosenfeld
Journal: Atmospheric Chemistry and Physics
Year: 2025

Photostationary state assumption seriously underestimates NOx emissions near large point sources at 10 to 60 m pixel resolution
Authors: L Chen, Z Song, N Yao, H Xi, J Li, P Gao, Y Chen, H Su, Y Sun, B Jiang, …
Journal: Proceedings of the National Academy of Sciences
Year: 2025

Multi-task deep learning for quantifying methane emissions from 2-D plume imagery with Low Signal-to-Noise Ratio
Authors: Q Xu, X Gu, P Li, X Gu
Journal: International Journal of Remote Sensing
Year: 2024

Less anthropogenic aerosol indirect effects are a potential cause for Northeast Pacific warm blob events
Authors: N Yao, Z Song, L Chen, Y Sun, B Jiang, P Li, J Chen, S Yu
Journal: Proceedings of the National Academy of Sciences
Year: 2024

Different contributions of meteorological conditions and emission reductions to the ozone pollution during Shanghai’s COVID-19 lockdowns in winter and spring
Authors: X Dou, M Li, Y Jiang, Z Song, P Li, S Yu
Journal: Atmospheric Pollution Research
Year: 2024

Sung Woo Moon | Computational Modeling | Best Researcher Award

Published on by Analytical Chemistry

Assoc. Prof. Dr. Sung Woo Moon | Computational Modeling | Best Researcher Award

Nazarbayev University, Kazakhstan

👨‍🎓Profiles

🌱 Early Academic Pursuits

He began his academic journey with a passion for engineering and sustainable development. He pursued a Ph.D. in Civil Engineering at the University of Illinois at Urbana-Champaign, focusing on seismic hazard analysis and sustainable soil stabilization. His academic foundation, paired with rigorous training in geotechnical engineering, laid the groundwork for a distinguished career in research and teaching.

🛠️ Professional Endeavors

As an Associate Professor at Nazarbayev University, Kazakhstan, He has over two decades of professional experience in seismic hazard analysis, geophysical site investigations, and sustainable infrastructure development. He has actively engaged in cross-disciplinary collaborations with prestigious institutions, including the University of Illinois, Hanyang University, and Purdue University, to address complex environmental and engineering challenges.

🔬 Contributions and Research Focus

His research centers on innovative and sustainable solutions in geotechnical engineering. He has made significant contributions to the development of eco-friendly materials, such as utilizing industrial byproducts like Phosphogypsum, GGBFS, and BOF slag for soil stabilization. His work on carbon capture and storage (CCS) using serpentinite rocks is a testament to his commitment to combating industrial CO₂ emissions. These efforts align with global climate goals and exemplify his dedication to environmental sustainability.

🌍 Impact and Influence

His pioneering research has garnered significant recognition, with over 50 publications in SCI and Scopus-indexed journals. His contributions have advanced the fields of geotechnical engineering and environmental sustainability, providing scalable solutions for resilient infrastructure and climate change mitigation. His projects, funded by competitive grants such as the NU Faculty-Development Competitive Research Grants, underscore his influence in academia and industry.

📚 Academic Citations and Publications

His extensive body of work includes over 50 published papers and a book (ISBN: 978-3-031-43454-9). His research is widely cited by peers, reflecting his impact in the academic community. He has also served on editorial boards, contributing to the advancement of scientific discourse in his field.

🧰 Technical Skills

He possesses expertise in geophysical site investigations, seismic hazard analysis, sustainable soil stabilization, and advanced CCS technologies. His ability to integrate traditional engineering principles with modern technologies demonstrates his technical acumen and innovative approach to problem-solving.

🎓 Teaching Experience

As an educator, He is committed to inspiring the next generation of engineers. At Nazarbayev University, he has designed and taught courses in civil and environmental engineering, emphasizing hands-on learning and practical applications. His mentorship has guided students toward success in research and industry.

🌟 Legacy and Future Contributions

He envisions a future where engineering solutions are both innovative and sustainable. He aims to continue his work on developing eco-friendly construction materials and advancing CCS technologies, contributing to global sustainability efforts. His legacy lies in his ability to blend interdisciplinary research with practical applications, leaving a lasting impact on the fields of engineering and environmental science.

📖Notable Publications