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Yamin ZhangView profile

Assistant Professor

• Bioelectronics
• Bioresorbable Medical Devices
• Electrotherapy
• +6 more

Dr. Yamin Zhang (张亚敏) holds a Presidential Young Professorship as an Assistant Professor in the Department of Chemical & Biomolecular Engineering at the National University of Singapore (NUS), College of Engineering. She leads the Zhang Group which focuses on interdisciplinary research at the intersection of electrochemistry, materials science, and biomedical engineering. 07/2023 – 01/2024: Research Associate, Northwestern University 02/2021 – 06/2023: Postdoctoral Fellow, Northwestern University 08/2016 – 12/2020: Ph.D., Chemical Engineering, Georgia Institute of Technology 09/2012 – 07/2016: B.S., Chemical Engineering, Tianjin University; B.S., Finance (Double Major), Nankai University Dr. Zhang's research centers on developing advanced electrochemical strategies for next-generation medical devices (implantable, bioresorbable, and wearable) and sustainable energy solutions. Her work bridges bioelectronics , battery technology , and medical therapeutics , with particular emphasis on creating devices that can safely dissolve in the body after serving their purpose. Key areas include bioresorbable optoelectronic systems for electrotherapy, self-powered drug delivery platforms, and eco-safe battery technologies that can harmlessly resorb in biological environments. Analysis of Dr. Zhang's publication record reveals a clear trajectory from fundamental battery chemistry (2021-2022) toward increasingly sophisticated medical applications (2023-2025). Her recent work demonstrates mastery in integrating multiple functionalities into single bioresorbable platforms, as evidenced by her Nature (2025) paper on millimeter-scale optoelectronic systems for electrotherapy and Cell Biomaterials (2025) paper on wireless bioelectronic devices. The research shows strong interdisciplinary collaboration with leading institutions including Northwestern University and Georgia Tech. AHA Early Faculty Independence Award (2023) MIT ChemE Rising Stars (2022) Sigma Xi Best PhD Thesis Award (2021) Chinese Government Award for Outstanding Students Abroad (2021) A*STAR MTC Young Individual Research Grants (YIRG) (2025) Early Career Board Member for ACS Applied Materials & Interfaces (2025) Dr. Zhang has secured significant research funding including the AHA's Second Century Early Faculty Independence Award as Principal Investigator (2023) and the A*STAR MTC Young Individual Research Grant (2025). Her group serves on advisory boards for Cell Biomaterials and ACS Applied Materials & Interfaces. The Zhang Group at NUS maintains active collaborations with Northwestern University researchers including the Rogers group, with whom she has co-authored multiple high-impact publications in Nature, Science, and PNAS. Current research focuses on advancing battery technology and developing sophisticated electrochemical strategies for medical devices with an overarching focus on healthcare innovation and environmental sustainability.

Gloria Milena Monsalve BravoView profile

Research Fellow

• Multiscale Simulation
• Molecular Simulation
• Gas Permeation
• +7 more

Dr. Gloria Milena Monsalve Bravo is an Advanced Queensland Industry Research Fellow and lecturer at The University of Queensland's School of Chemical Engineering, where she develops novel multiscale simulation techniques combining molecular simulations with macroscopic physics-based modeling to solve complex energy and environmental problems. Her interdisciplinary work bridges applied mathematics and engineering to improve understanding of phenomena in complex systems across chemical, biomedical, and ecological applications. Her research focuses on: Multiscale simulation techniques for complex systems Molecular simulations coupled with macroscopic modeling Gas permeation and separation in mixed-matrix membranes Uncertainty and sensitivity analysis in mathematical models Applied mathematics for engineering problems Dr. Monsalve Bravo's publication record demonstrates a strong trajectory in membrane technology and computational modeling. Her recent work has advanced understanding of gas transport in novel membrane materials, particularly mixed-matrix membranes, with applications in carbon capture and hydrogen storage. She has made significant contributions to theoretical frameworks for modeling permeation in finite-sized composite systems and developed Bayesian approaches for analyzing parameter uncertainty in sorption predictions. Her research bridges fundamental science with practical applications in energy and environmental engineering. Her scientific contributions have been recognized through research funding including: ARC Research Hub for Value-Added Processing of Underutilised Carbon Wastes (2024-2029) Tailor-made composite membranes for greenhouse gas capture (2023-2026) through Advance Queensland Industry Research Fellowships Dr. Monsalve Bravo actively mentors PhD students on cutting-edge projects related to membrane technology, catalyst development, and waste conversion. She collaborates extensively across disciplines, as evidenced by her diverse publication record spanning chemical engineering, materials science, and environmental applications.

John M. WoodleyView profile

Professor

• Biocatalysis
• Bioprocess Engineering
• Enzyme Technology
• +6 more

John M. Woodley is a distinguished Professor in the Department of Chemical and Biochemical Engineering at the Technical University of Denmark (DTU), where he leads research at the PROSYS - Process and Systems Engineering Centre and contributes to the DTU Microbes Initiative. With over 30 years of experience, he has established himself as a leading expert in biocatalysis and bioprocess engineering, with research spanning both theoretical and experimental work across multiple scales. His primary research interests focus on the interface of bioprocess engineering, process chemistry, and reaction engineering. Dr. Woodley's work encompasses multi-step biocatalysis (including systems biocatalysis and flow chemistry), downstream processing from biocatalytic reactors and fermentations (including ISPR), modeling tools for bioprocess assessment (thermodynamics, kinetics, process simulation, economic evaluation), and bio-oxidations (including oxygen supply methods). His enzymatic investigations particularly target alcohol oxidases, carbohydrate oxidases, cytochrome P450s, Baeyer-Villiger monooxygenases, and transaminases. His research portfolio demonstrates consistent innovation in sustainable chemical production, with particular emphasis on enzymatic synthesis of pharmaceuticals and chemicals from renewable resources. Analysis of his recent publications reveals a strong focus on overcoming industrial implementation challenges, particularly regarding enzyme stability in various reactor environments, optimization of multi-enzyme systems, and scale-up methodologies for biocatalytic processes. Dr. Woodley actively supervises multiple PhD students and leads several significant research projects, including 'P450-based biocatalytic processes for the pharmaceutical industry' (2025-2028), 'Integrated model for up- and downstream bioprocess intensification' (2024-2027), and 'ENFACE: A tool for prediction of enzyme stability at gas-liquid interfaces' (2024-2027). His work has resulted in an impressive publication record of 781 research outputs across various formats, including journal articles, book chapters, and conference proceedings. His research group operates within the Department of Chemical and Biochemical Engineering at DTU, utilizing advanced facilities for biocatalysis research, including specialized reactor systems for studying gas-liquid interfaces, computational modeling resources, and laboratories for enzyme characterization and bioprocess development. Through his leadership in the PROSYS center, he contributes to DTU's strategic focus on sustainable process technologies and systems engineering.

• Materials Science
• Energy Storage
• Battery Technology
• +3 more

Jun Liu is a distinguished scientist and academic, serving as a Battelle Fellow at Pacific Northwest National Laboratory (PNNL) and holding the position of Campbell Chair Professor at the University of Washington. His career spans over three decades in materials science and energy storage research, with significant leadership roles including Director of the Battery500 Consortium, a major DOE initiative focused on developing next-generation battery technologies. Dr. Liu earned his Bachelor's degree in Chemical Engineering from Hunan University, followed by a Master's degree in Ceramic Engineering and a Ph.D. in Materials Science and Engineering, both from the University of Washington. His educational background provided the foundation for his extensive career in advanced materials development. Dr. Liu's research focuses on the development, synthesis, and characterization of new materials for energy applications, with particular emphasis on battery technologies. His work spans lithium-ion batteries, lithium-sulfur systems, redox flow batteries, and magnesium-based energy storage solutions. He has pioneered approaches to improve energy density, cycle life, and safety of battery systems through innovative materials design and interface engineering. Analysis of Dr. Liu's recent publications reveals a strong focus on practical battery applications, with particular attention to lithium metal anodes, solid electrolyte interphases, and high-energy battery systems. His research increasingly addresses the challenges of translating laboratory discoveries into commercially viable battery technologies, with growing emphasis on pouch cell development and real-world performance metrics. Distinguished Inventor of Battelle (2007) PNNL's Inventor of the Year (2012, 2016) Electrochemical Society Battery Division Technology Award DOE EERE Exceptional Achievement Award PNNL Lifetime Achievement Award Fellow of the American Association for the Advancement of Science Fellow of the Materials Research Society Member of the Washington State Academy of Science Dr. Liu has secured substantial research funding through his leadership of the Battery500 Consortium and other DOE initiatives. He has mentored numerous researchers and students throughout his career, contributing to the development of the next generation of energy storage scientists. His research group at PNNL collaborates extensively with academic institutions, national laboratories, and industry partners to advance battery technology. Dr. Liu leads the Battery500 Consortium, a major collaborative effort involving multiple national laboratories, universities, and industry partners focused on developing lithium-metal batteries with significantly higher energy density than current technologies. His research group at PNNL maintains state-of-the-art facilities for materials synthesis, characterization, and battery testing, enabling comprehensive investigation of next-generation energy storage systems.

Anne BOUTINView profile

Professor

• Thermodynamics
• Molecular Simulation
• Porous Materials
• +6 more

Anne BOUTIN is a Research Director at the French National Center for Scientific Research (CNRS) and Professor at the École Normale Supérieure (ENS) in Paris, France. She leads the Department of Chemistry at ENS, focusing on the thermodynamics of confined fluids and molecular simulations of porous materials like metal-organic frameworks (MIL-53, ZIF-8) and zeolites. Education: Habilitation (1999), PhD in Chemical Physics (1992), Graduate of École Normale Supérieure (1992), MSc (1990) – all from University of Paris XI, Orsay. Positions: CNRS Research Fellow (1994–2009, University of Paris XI; 2009–present, ENS), Visiting Scientist at UC Santa Barbara (1999), Postdoctoral at Imperial College London (1993–1994). Research spans thermodynamic modeling of adsorption-induced structural transitions, polarizable force fields for charged materials, fluid dynamics in nanopores, and stability analysis of flexible frameworks. Google Scholar highlights recent work on electrolyte intrusion (2023) and defect impacts in zeolites (2023). Publications emphasize computational approaches to water confinement , gas separation , and material flexibility . Her 41+ peer-reviewed articles reflect expertise in Monte Carlo , molecular dynamics , and force field development . Awards: Nathalie Demassieux PhD Award (1993) CNRS Bronze Medal (1999) Legion of Honor (2017) Teaching: Statistical thermodynamics. Students: Supervised 17 PhD/postdoc directions.

Yali TangView profile

Assistant Professor

• Fluid Dynamics
• Multiphase Flow
• Physicochemical Conversions
• +7 more

Yali Tang is an Assistant Professor in the Department of Mechanical Engineering at Eindhoven University of Technology (TU/e), specializing in fluid dynamics and transport phenomena within multiphase flows and physicochemical conversions . Her work targets Iron Power technology , green steel production , and alkaline water electrolysis for hydrogen generation, combining advanced computational models with experimental validation . Education: Master's in Chemical Engineering from Sichuan University (2011) PhD in Mechanical Engineering at TU/e (2015) with Prof. Hans Kuipers Research Interests: She focuses on interphase interactions , interfacial transport mechanisms , and high-resolution simulations (down to 40 nm mesh) to predict bubble coalescence and film dynamics. Her studies on hydrogen bubble growth , dendritic iron formation , and gas distribution in electrolyzers aim to refine reactor design and industrial processes. Collaborations with industrial partners ensure practical applicability of her computational models. Recent Publications: Her 2025 work includes dimensional analysis of liquid film formation, solutal Marangoni effects in electrolysis, and X-ray validation of gas distribution models. Earlier studies (2020–2023) cover defluidization behavior of iron fines, CFD-DEM modeling of raceways, and acoustic field applications in particle dynamics. Labs & Collaborations: She leads computational efforts within the Power & Flow group under Prof. Niels Deen, contributing to the EIRES Research cluster. Her work bridges academic research with industrial innovation in fluid dynamics and energy transition technologies.

Johannes LercherView profile

Professor

• Catalysis
• Sustainable Energy
• Chemical Engineering
• +3 more

Prof. Johannes A. Lercher is a retired professor (as of April 2023) at the Technical University of Munich (TUM), holding the Chair of Chemical Technology II within the Department of Chemistry. His research focuses on heterogeneous catalysis, particularly understanding catalytic processes at solid-liquid and solid-gas interfaces, with applications in sustainable energy production, CO₂ conversion, and catalytic upcycling of polymers. He has held academic positions at the University of Twente (Netherlands) and the Pacific Northwest National Laboratory (USA), and has been Editor-in-Chief of the Journal of Catalysis . His honors include the Alwin Mittasch Prize (2021), ENI Award (2016), and Kozo Tanabe Prize (2013). His recent work emphasizes low-temperature polymer upcycling, methane activation, and bioinspired catalyst design, leveraging advanced spectroscopic and operando techniques. Despite retirement, his contributions to catalysis research remain impactful. Education: PhD (1980) and Habilitation (1985), Vienna University of Technology Visiting Lecturer, Yale University (1982) Research Interests: Heterogeneous catalysis, catalytic interfaces, sustainable energy carriers, CO₂ valorization, and polymer waste upcycling. Key areas include: Design of catalysts for selective hydrocarbon synthesis Mechanistic studies using advanced spectroscopy Development of scalable catalytic processes for industrial applications Recent Trends in Publications: Focus on low-temperature polymer recycling (e.g., PVC and polyolefin upcycling), methane activation via novel catalysts (e.g., Co 2+ in ZSM-5), and bioinspired catalytic strategies. His work bridges fundamental catalysis with industrial relevance, emphasizing sustainability and energy efficiency. Awards and Recognition: Member, Academia Europaea and US National Academy of Engineering Recipient of multiple international catalysis awards (see full list above) Grants and Labs: Led the Institute for Integrated Catalysis (Pacific Northwest National Lab, 2011–present). His research groups have pioneered studies on zeolite-confined reactions and interfacial catalysis, with collaborations spanning academia and industry. Labs/Teams: Active in the TUM Department of Chemistry and international networks focused on catalytic innovation for a carbon-neutral economy.

Michael J PekrisView profile

Senior Lecturer

• Environmental Technologies
• Sustainable Aviation
• Fluid Dynamics
• +7 more

Dr. Michael J Pekris is a Senior Lecturer in Mechanical Engineering Sciences at the University of Surrey, serving as Director of Employability within the School of Engineering. He holds a MEng and DPhil from the University of Oxford (2004), with a thesis on liquid crystal heat transfer in turbine blade cooling. His career includes R&D roles at Rolls-Royce, focusing on advanced seal technology and engine efficiency. He is a Chartered Engineer (CEng), Fellow of the IMechE (2023), and Fellow of the Higher Education Academy (FHEA). His research spans sustainable aviation, fluid dynamics, and heat transfer, with a focus on brush seals, hydrogen-fueled aircraft, and transcritical CO2 systems. He leads the Surrey Aerothermal Test Facility (SATF) and collaborates on projects like the Surrey Hydrogen Aircraft Performance Evaluator (SHAPE). He also serves as IMechE Academic Liaison Officer and Royal Academy of Engineering Visiting Professor Scheme Champion. Research interests include environmental technologies for aero-engine seals, sustainable aviation (electric/hydrogen), fluid dynamics, thermodynamic cycles, and rotating machinery. His work addresses energy efficiency, waste heat recovery, and low-emission propulsion systems. Notable contributions include Rolls-Royce Innovation Award (2013) and patents on seal technology. He actively engages in professional development initiatives and industry-academia partnerships. Publications emphasize seal dynamics, CFD modeling, and thermal management. Recent work explores hydrogen-fueled aircraft viability and CO2-based power systems. Collaborations involve Rolls-Royce, ASME Turbo Expo, and Surrey’s interdisciplinary engineering teams. His academic roles include teaching Structural Vibrations and Engineering Management, and advising the Professional Training Year module.

Benjamin C.K. TeeView profile

Associate Professor

• Flexible Electronics
• Self-Healing Materials
• Electronic Skin (E-Skin)
• +4 more

Dr. Benjamin C.K. Tee is an Associate Professor at the National University of Singapore (NUS), affiliated with the College of Engineering and the Department of Materials Science and Engineering. He leads the Sensors.AI Labs, focusing on transforming materials science, mechanics, and biology into cutting-edge technologies for robotics and healthcare in the AI era. His research explores novel materials and fabrication techniques to develop flexible, stretchable electronic sensors. These innovations enable applications in human-machine interfaces, biomedical devices, and AI-driven robotic systems. Key areas include self-healing materials, large-scale tactile sensing, and wireless health monitoring. His work has garnered international acclaim, including the James Dyson Foundation Prize (International Winner, 2021), MIT TR35 Innovator (2015), and recognition as a World Economic Forum Young Scientist (2019). His inventions have been commercialized through co-founded startups Privi Medical (acquired in 2021) and Hannah Life Technologies. Scientific Awards: National Research Foundation Fellowship (2017) MIT TR35 Innovator (Global) (2015) World Economic Forum Young Scientist (2019) James Dyson Foundation Prize - International Winner (2021) IES Prestigious Engineering Award (2020) Stanford University Top 2% Scientists (2021)

• Fluid Mechanics
• Multiphase Flow Modeling
• Numerical Simulation
• +3 more

Marcus Herrmann is a Professor of Aerospace and Mechanical Engineering at Arizona State University's School for Engineering of Matter, Transport and Energy. He is also affiliated with the Center for Negative Carbon Emissions. His research focuses on fluid mechanics, multiphase flows, atomization processes, and numerical methods for discontinuous interfaces. Herrmann holds a PhD in Mechanical Engineering from RWTH Aachen University (2001) and a Diplom (1995). His career includes a postdoctoral fellowship at Stanford University's Center for Turbulence Research (CTR) and a visiting scientist position at the University of Technology Eindhoven, Netherlands. He has secured major grants from NASA, NSF, and industry partners like Honeywell, focusing on atomization modeling, supersonic crossflows, and turbulence simulations. Research interests span computational fluid dynamics, multiphase flow simulation, and LES/DNS methodologies. His recent work emphasizes high-fidelity numerical techniques for particle-resolved simulations and phase interface dynamics. Teaching includes courses like MAE 561 (Computational Fluid Dynamics) and MAE 384 (Advanced Math Methods for Engineers). He actively advises students through research and dissertation roles. Notable projects include modeling wax deposition in pipelines and developing novel approaches for interface dynamics in turbulent flows. His work bridges fundamental fluid mechanics with industrial applications like combustion systems and porous media modeling.

Emilio ArtachoView profile

Professor

• Condensed Matter Physics
• Computational Physics
• Molecular Dynamics
• +4 more

Professor Emilio Artacho is a faculty member in the Department of Physics at the University of Cambridge, based at the Cavendish Laboratory. He transitioned from the Department of Earth Sciences in 2011, where he was granted a Professorship in 2006. His research focuses on computational simulations of non-equilibrium processes in condensed matter, particularly using first-principles molecular dynamics and density-functional theory. He co-developed the SIESTA program for linear-scaling electronic structure calculations, widely utilized in computational materials science. Artacho’s work spans far-from-equilibrium phenomena in irradiated matter, multiferroics, nanoconfined water systems, and surface chemistry. His contributions include studies of electronic stopping power in materials, 2D electron gas formation at ferroelectric interfaces, and the structural dynamics of water under confinement. His academic roles include adjunct positions at Ikerbasque (Nanogune, Spain) and visiting professorships at institutions like the University of California, Berkeley, and École Normale Supérieure de Lyon. Research interests are anchored in theoretical condensed matter physics, with applications to nanomaterials, radiation effects, and interfacial phenomena. His computational methods bridge quantum mechanics and classical dynamics, enabling insights into complex systems like proton-irradiated solar cells and confined water films.

Patrick HuberView profile

Professor

• Condensed Matter Physics
• Materials Science
• Nanoporous Materials
• +6 more

Prof. Dr. Patrick Huber is a leading physicist and Institute Director at the Hamburg University of Technology (TUHH) , heading the Institute for Materials and X-Ray Physics (M-2) . He also leads the High-Resolution X-Ray Analytics of Materials group at DESY through a cooperative professorship. His research spans condensed matter physics , nanoporous materials , and X-ray analytics , with significant contributions to molecular water science and soft matter in confinement . Education: PhD in Physics (1999, Saarland University), Diploma in Physics (1995, Saarland University) Professional Career: Full Professor at TUHH (2020-present), Member of CRC 1615 (2023-present), Spokesperson for CMWS (2024-present), Cluster of Excellence BlueMat (2025) Research Interests focus on multi-scale material behavior under extreme confinement, particularly hierarchical porous silicon and silica systems . His work examines adsorption-induced deformation , elastocapillarity , fluid transport in nanopores, and metamaterial design principles using electrolytes , polymers , and liquid crystals . Fundamental studies include fluid interface thermodynamics and microscopic hydrodynamics . Scientific Awards include the Top Reviewer Award (2018) from Applied Physics Letters and the Dr.-Eduard-Martin Award (2000) for his dissertation. He contributes to 130+ publications with an h-index of 36 (2021). Advising and Grants involve supervising 18 doctoral and master's students , including Manuel Brinker , Marc Thelen , and Stella Gries . He participates in Collaborative Research Centre CRC 1615 , Cluster of Excellence EXC 3120 BlueMat , and the United Nations University Hub on Climate Engineering . Laboratory and Teams include the Institute for Materials and X-Ray Physics (M-2) at TUHH, the High-Resolution X-Ray Analytics group at DESY, and contributions to the Centre for Hybrid Nanostructures (CHyN) .

Jun LiuView profile

Assistant Professor

• Advanced energy materials
• Nano/micro-mechanics
• Self-powered electronics and systems
• +2 more

Jun Liu is an Assistant Professor in the Department of Mechanical and Aerospace Engineering at the School of Engineering and Applied Sciences, University at Buffalo. His research focuses on advanced energy materials, nano/micro-mechanics, and self-powered systems, with applications in triboelectric energy harvesting and scanning probe microscopy. Education: PhD, Materials Engineering, University of Alberta (2018) MS, Materials Science, Shanghai University (2015) BE, Materials Science and Engineering, Nanchang University (2012) Research Interests: Development of tribovoltaic and triboelectric systems for self-powered electronics Mechanical energy harvesting via dynamic heterojunctions and Schottky contacts 3D-printed hydrogel structures for energy absorption and flexible electronics Nanoscale characterization using atomic force microscopy Design of nanocomposite sensors and catalytic materials Publication Trends: His work emphasizes triboelectricity, nanoscale energy conversion, and sustainable materials. Recent articles explore bionic tactile sensing, tunable hydrogels, and quantum dynamics in sliding interfaces. Awards: SONY Faculty Innovation Award (2021) Nature Springer MINE Young Scientist Award (2020) International Contest of Applications in Nano/Micro Technology Prize (2013) Laboratory: Advanced Energy Materials and Nanomechanics Lab at University at Buffalo.

Andreas JentysView profile

Professor

• Catalysis
• Surface Chemistry
• Material Science
• +5 more

Andreas Jentys is a Professor at the Department of Technical Chemistry within the TUM School of Natural Sciences at Technische Universität München (TUM). His research focuses on understanding surface reactions and transport phenomena in mesostructured, micro- and mesoporous oxides with acid/base or redox properties, as well as supported metal catalysts for gas and condensed phase reactions. He prepares materials with tailored functionality and studies their sorptive and catalytic properties using in situ electron and vibrational spectroscopy combined with microkinetic experiments. Education: PhD (Dr. techn.) in Chemistry from TU Wien (1991) Postdoctoral: Royal Institution of Great Britain (1992-1993) with Prof. Richard Catlow Academic Career: TU Wien (1998: Associate Professor), TUM (1999: Senior Scientist; 2011: Professor) Teaching: Active in TUM Asia since 2006 Research interests span catalysis, surface chemistry, material science, and chemical reaction engineering. He specializes in zeolites, bimetallic catalysts, and in situ spectroscopic methods. Recent work examines: Hydrogen evolution and carbon-carbon coupling on Cu Methane activation via Co²⁺ sites in ZSM-5 Photocatalytic systems using metal-organic frameworks Solvent effects in palladium-catalyzed hydrogenation CO₂ hydrogenation over bifunctional catalysts Publications trend toward heterogeneous catalysis, with emphasis on: Design of mesoporous and microporous materials Characterization of metal clusters and oxo species Microkinetic modeling of catalytic systems Environmental applications (NOx/CO₂ reduction) Hydrogen and hydrocarbon processing Teaching includes courses on: Reaction Engineering and Kinetics Industrial Chemical Processes I & II Fundamentals of Catalysis TC Praktikum (internship)

Steven A. CorcelliView profile

Professor

• Theoretical Chemistry
• Computational Molecular Science
• Biomolecular Binding
• +5 more

Steven A. Corcelli is a Professor and Interim Dean of the College of Science at the University of Notre Dame, with a research focus on Theoretical Chemistry and Molecular Dynamics Simulations . His work bridges Physical Chemistry and Biochemistry , targeting Energy Applications and Biomolecular Binding Mechanisms . He leads the Computational Molecular Science & Engineering Laboratory (CoMSEL). Ph.D., Chemistry, Yale University (2001) Sc.B., Chemistry, Brown University (1997) Research interests span ionic liquids for Carbon Capture , aqueous electrolytes in battery technologies , and molecular binding processes in immunology and DNA interactions . His group employs GPU-accelerated simulations and weighted ensemble methods to uncover structural and dynamic motifs. Recent publications highlight trends in vibrational spectroscopy , TCR-MHC binding , and CO2 solvation mechanisms . Awards include the Thomas P. Madden Award (2020) , ACS Fellowship (2016) , and NSF CAREER Award (2009) . Staff: Erin Brossard (Ph.D.), Nell Karpinski, Shuang Wu, Noah Vasconez, Kaitlyn Handy, Isabel Thompson