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Karen I. Winey serves as the Harold Pender Professor in the Department of Chemical and Biomolecular Engineering and Materials Science and Engineering at the University of Pennsylvania's School of Engineering and Applied Science. Her research group employs experimental and computational tools to investigate advanced polymers for energy applications, particularly focusing on proton and ion conductivity for fuel cells and batteries within the Laboratory for Research on the Structure of Matter (LRSM). Dr. Winey's research encompasses: Designing functional polymers to improve proton, hydroxide, and ion conductivity Studying polymer nanocomposites and nanoparticle dynamics in electrochemical devices Developing polymer-to-polymer upcycling methods to convert waste polyolefins to higher value polymers Revolutionizing understanding of ionomer morphologies beyond traditional spherical aggregate models Her recent publications reveal significant advances in sustainable energy materials, particularly fluorine-free alternatives to conventional polymer electrolytes. The research spans fundamental studies of ion transport mechanisms in precisely engineered polymers to practical applications in energy devices. A critical focus is understanding how nanoscale morphology affects macroscopic properties, with particular attention to structure-property relationships in ion-conducting polymers for fuel cells and batteries. Scientific recognition includes: 2025 Turner J. Alfrey Visiting Professor Harold Pender Professorship (endowed chair) NSF DMR Polymers grant awarded July 2025 Dr. Winey actively mentors a diverse research group including PhD students, postdoctoral researchers, and undergraduates. Her lab recently welcomed six summer undergraduates and has celebrated numerous student achievements including qualifying exam successes and award-winning presentations. Current major projects include the Port5 collaboration and the PolyUp project focused on polymer upcycling through dehydrogenation and functionalization strategies. The Winey Group operates within Penn's state-of-the-art Vagelos Laboratory for Energy Science and Technology (VLEST), maintaining active collaborations with institutions including the University of Konstanz in Germany, Florida State University, and Michigan State University. The group regularly hosts international visitors and participates in major conferences including the APS Global Physics Summit.

• Polymer Science
• Materials Science
• Energy Applications
• +4 more

Martin Z. Bazant is the E. G. Roos (1944) Professor of Chemical Engineering and Professor of Mathematics at the Massachusetts Institute of Technology (MIT), holding the Digital Learning Officer role in the Department of Chemical Engineering. His research focuses on mathematical modeling of electrochemical systems, transport phenomena, and applied mathematics, with significant contributions to battery technology and electrochemical energy storage. He is affiliated with MIT’s Department of Mathematics and the MIT Energy Initiative (MITEI), leading initiatives like the Center for Battery Sustainability and D3BATT. Education: Ph.D. from Harvard University (1997), M.S. and B.S. from the University of Arizona (1993, 1992). His work bridges theory and application, addressing challenges in lithium-ion batteries, solid-state systems, and electrolyte dynamics. Notable achievements include pioneering studies on coupled ion-electron transfer mechanisms and phase separation in battery materials. He is an elected member of the National Academy of Engineering (2025) and a Fellow of the Electrochemical Society (2023). As an educator, he develops MOOCs on transport phenomena and contributes to digital learning initiatives. His research group explores advanced battery diagnostics, machine learning for materials science, and environmental applications of electrochemical processes. Key collaborations include startups like Lithios, Inc., and leadership roles in professional societies such as the International Electrokinetics Society.

• Electrochemical Systems
• Transport Phenomena
• Applied Mathematics
• +3 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.

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

Lars Eriksson is a researcher at the Department of Chemistry, Stockholm University, affiliated with the Faculty of Science. He is part of Gunnar Svensson's group, which focuses on solid-state inorganic chemistry, including the synthesis of energy-related compounds and their crystal structure analysis. Research interests span inorganic chemistry, solid-state chemistry, crystallography, energy applications, organic synthesis, catalysis, and chemical education. His work bridges experimental and computational approaches, with recent publications exploring molecular design for energy storage, asymmetric synthesis, triplet-to-singlet energy transfer, and pedagogical strategies in chemistry education. Trends in his research highlight applications in materials science, environmental chemistry, and educational methodologies. While no formal scientific awards are mentioned in the provided texts, his contributions include collaborative studies on catalysis, molecular structure, and student learning processes. He has no listed grants or students, but his publications emphasize tutor-student interactions and practical epistemology analysis. The research group he belongs to investigates fundamental properties of synthesized compounds, often with energy-related applications, and maintains strong ties to the broader chemistry community through peer-reviewed publications and educational studies.

• Inorganic Chemistry
• Solid State Chemistry
• Crystallography
• +4 more

Prof. Marc Koper is a Professor of Catalysis and Surface Chemistry at Leiden University, affiliated with the Leiden Institute of Chemistry (LIC) . His research focuses on sustainable energy and chemistry, particularly electrocatalytic redox reactions of carbon, nitrogen, and oxygen compounds. He leads a dynamic research group with 17 current PhD candidates, including Ariba Adnan, Karen van den Akker, and others. Koper’s work bridges experimental, theoretical, and catalyst design principles to advance energy transition technologies. His research interests span catalysis , electrochemistry , and surface chemistry , with a focus on CO 2 reduction , nitrate reduction , and electrochemical water oxidation . Recent studies emphasize solvent effects, cation roles in catalysis, and nanostructured electrode design to enhance reaction selectivity and efficiency. Notable achievements include the Antwerp Honorary Doctorate (2024) for contributions to sustainable energy research. His publications explore topics like platinum hydride formation, double-layer capacitance measurement challenges, and the mechanisms of electrochemical CO 2 reduction on metal surfaces. Koper’s work also addresses industrial-scale applications, such as optimizing gas bubble detachment during hydrogen evolution and designing bipolar membranes for CO 2 electrolysis. Advisor to over 38 former PhD students, Koper’s teaching spans Electrochemistry (MSc) and Chemical Energy Transition (Minor). He collaborates widely, with projects funded by initiatives like the ANION Gravitation Program and the ELCOREL EU Horizon 2020 Project .

• Catalysis
• Electrochemistry
• Surface Chemistry
• +3 more

Scott Hopkins is a Professor in the Department of Chemistry at the University of Waterloo, specializing in Physical Chemistry. His research integrates machine learning with experimental techniques to study ion mobility, mass spectrometry, and spectroscopic analysis. He directs the Hopkins Laboratory, focusing on computational predictions of chemical behaviors and molecular interactions. His work addresses fundamental questions in gas-phase chemistry, cluster formation, and analytical method development. Research interests span physical chemistry, computational modeling, and analytical instrumentation, with a strong emphasis on developing predictive tools for complex chemical systems. Recent investigations explore ion-solvent dynamics, fragmentation mechanisms, and machine-learning applications for spectral interpretation.

• Physical Chemistry
• Machine Learning
• Mass Spectrometry
• +2 more

Michael John Janik is a Professor in the Department of Chemical Engineering at Pennsylvania State University, with significant affiliation to the Institute of Energy and the Environment (IEE). His academic profile demonstrates exceptional research productivity with 270 research outputs, 25 funded projects, and substantial scholarly impact reflected in 17,238 citations and an h-index of 61. His research expertise centers on computational chemistry with particular focus on Density Functional Theory applications to catalysis and electrocatalysis. The fingerprint analysis of his work reveals strong concentrations in Density Functional Theory (76%), Oxidation Reactions (36%), Carbon Dioxide research (29%), Adsorption phenomena (27%), and First Principles Chemistry (22%). His work significantly contributes to UN Sustainable Development Goals related to clean energy and climate action. Analysis of his recent publications (2020-2025) reveals a strong research trajectory in electrocatalysis, particularly examining cation effects on CO 2 reduction mechanisms, intermetallic catalyst design, and computational modeling of electrochemical systems. His work bridges fundamental computational chemistry with practical applications in sustainable energy conversion. h-index of 61 17,238 total citations Multiple high-impact publications in journals including Nature Catalysis, Journal of the American Chemical Society, and Science Advances Professor Janik actively leads and collaborates on numerous research projects, particularly with Dr. Rioux and other colleagues, focusing on advanced catalyst development and electrochemical energy conversion systems. His current research portfolio includes multiple active NSF-funded projects extending through 2027 that address critical challenges in electrocatalysis, CO 2 reduction, and intermetallic catalyst design. His research group maintains strong connections with the Institute of Energy and the Environment, positioning his work at the intersection of fundamental computational chemistry and applied energy solutions. Current projects include combining DFT with classical simulations to predict solvation effects, developing high-entropy alloys for catalysis, and studying oxide overlayers in CO 2 reaction systems.

• Density Functional Theory
• Electrocatalysis
• CO2 Reduction
• +7 more

Sean Lubner is Core Faculty at the Boston University Institute for Global Sustainability (IGS) and Assistant Professor in Mechanical Engineering within the College of Engineering. He holds a PhD from UC Berkeley and BS degrees in Mechanical Engineering and Applied Physics from Carnegie Mellon University. His research focuses on energy transport and storage systems, including thermal energy storage, battery diagnostics, and CO₂ capture technologies. Education: PhD in Mechanical Engineering, UC Berkeley (NSF Fellow) BS in Mechanical Engineering & Applied Physics, Carnegie Mellon University Research Interests: Lubner specializes in grid-scale thermal energy storage, non-invasive sensors for harsh environments, and decarbonization strategies. His work integrates machine learning with materials science to develop advanced energy systems. He collaborates with industry on patents involving battery safety, photonic surfaces, and phase change materials. Article Trends: Recent publications emphasize high-temperature materials, battery failure prediction via thermal signatures, and femtosecond laser processing for photonic surfaces. His work bridges nanoscale phenomena with macro-scale energy systems, leveraging interdisciplinary methods. Awards: Lubner was an NSF Graduate Research Fellow during his PhD. Advising & Grants: While no advisees are listed, his research is supported by industry partnerships and grants focusing on energy storage innovation. He leads the Lubner Group, which develops novel sensing and storage technologies. Labs/Teams: The Lubner Group at BU focuses on sustainable energy solutions, combining experimental and computational approaches to address climate challenges.

• Energy Storage
• Thermal Engineering
• Materials Science
• +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

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

Alfredo Pasquarello is a Full Professor at the Chair of Atomic Scale Simulation within the Condensed Matter Theory Laboratory (CSEA) at the Ecole Polytechnique Fédérale de Lausanne (EPFL) . He teaches courses such as Computer Simulation of Physical Systems I and General Physics: Quanta . Education: Physics at Scuola Normale Superiore of Pisa (1986), University of Pisa (1986), PhD at EPFL (1991). Research: Focuses on atomic-scale simulations using density functional theory (DFT) and many-body perturbation to study defects in oxides , oxide-semiconductor interfaces , and energy materials like perovskites and photocatalysts. Recent Publications: 15 most recent articles (2022–2024) address band gaps, polarons, water splitting, and defect engineering in materials for photovoltaics and electrochemistry. Awards: Recipient of the EPFL Latsis Prize (1998) . Students: Supervised PhD/Master's students including Stefano Falletta, Thomas Bischoff, Patrick Gono, and Zhendong Guo. Labs: Leads the Chair of Atomic Scale Simulation at EPFL SB IPHYS CSEA.

• Theoretical Condensed Matter Physics
• Computational Materials Science
• Electronic Structure
• +6 more

Manjesh Kumar Singh is an Associate Professor in the Department of Mechanical Engineering at Indian Institute of Technology Kanpur. He holds a PhD in Polymer Science from ETH Zurich and has postdoctoral experience at the Max Planck Institute for Polymer Research and ETH Zurich. Education: PhD (2016) - ETH Zurich, Switzerland ME (2011) - Indian Institute of Science, Bangalore BE (2009) - IIEST Shibpur His research focuses on Tribology, Soft Matter, and Rheology , with expertise in molecular dynamics simulations, AFM techniques, and polymer brush systems. Key projects include studying cross-linked polymer brushes under shear, solvation behaviors of elastin-like polypeptides, and tribological responses of disentangled polymer melts. Recent publications highlight his work in polymer tribology, solvation mechanisms, and shear dynamics. He has received multiple scholarships for international conferences and a Best Oral Presentation award at IndiaTrib-2019. Awards & Fellowships: Thailand 2020 International Nanotribology Forum Scholarship IndiaTrib-2019 Best Oral Presentation Kerala 2014 International Nanotribology Forum Scholarship 2012 Gordon Research Conference Travel Grant 2011 Vietnam International Nanotribology Forum Scholarship He works in the Himanshu Hatwal Nonlinear Mechanics Lab at IIT Kanpur.

• Tribology
• Soft Matter
• Rheology
• +4 more

Lucia Lee is an Assistant Professor in the Department of Chemistry at Queen's University, affiliated with the Faculty of Arts and Science. Her research focuses on applying green chemistry principles to supramolecular interactions involving main-group elements, particularly sigma-hole interactions, with applications in materials science and medicine. She holds a PhD from McMaster University and has completed postdoctoral studies at the University of Geneva and Weizmann Institute of Science. Dr. Lee's educational background includes a PhD supported by an NSERC grant, which explored chalcogen bonding in supramolecular materials. Her postdoctoral work at Weizmann focuses on stimuli-responsive materials using chalcogen elements for photoswitching applications. She has also contributed to academic governance through roles in the McMaster Graduate Students Association. Her research interests span analytical chemistry, quantum chemistry, inorganic and bioinorganic chemistry, organic chemistry, and free radical chemistry. Key projects include integrating chalcogen bonding into d-metal coordination chemistry, catalysis, and chemical biology to create functional materials. Her lab, located in CHE513, emphasizes sustainable approaches to material design through main-group supramolecular systems. Her articles explore topics like chalcogen bonding mechanisms, anion transport, and photoswitching in confined spaces, reflecting a strong focus on molecular assembly and functional materials. She has no listed scientific awards but demonstrates significant contributions to supramolecular chemistry through her publications and cross-appointments at Queen's Carbon to Metal Coating Institute.

• Chemical Sciences
• Analytical Chemistry
• Quantum Chemistry
• +9 more

Professor Kenneth Ruud is a leading expert in theoretical and computational chemistry at UiT The Arctic University of Norway. He serves as Director General of the Norwegian Defence Research Establishment and leads the Hylleraas Centre for Quantum Molecular Sciences. His research focuses on relativistic quantum chemistry, developing advanced ab initio methods for molecular property calculations, and integrating QM/MM and continuum solvent models. Education: PhD from University of Oslo (1998, supervised by Trygve Helgaker) Postdoc: University of San Diego with Peter Taylor (1998-2000) His work spans relativistic effects in molecular properties, vibronic coupling, and X-ray spectroscopy. He contributes to software development through programs like Dalton, Dirac, ReSpect, and OpenRSP. Recent publications highlight applications in spin-vibronic dynamics, heavy metal L/M-edge XAS, and topological materials. Key scientific contributions include relativistic DFT for nuclear spin-rotation constants, polarizable embedding models for vibrational spectra, and quantum dynamics frameworks. Awards recognize his impact through the Dirac Medal (2008) and multiple academy memberships. Elected to Norwegian Academy of Science and Letters Fellow of American Association for the Advancement of Science (AAAS) Foreign member of Finnish Academy of Science and Letters He actively participates in open science initiatives and serves on boards including Norges Forskningsråd and CAROS center for subsea robotics. Current projects involve quantum molecular science in extreme environments and computational protocol development.

• Theoretical Chemistry
• Quantum Chemistry
• Relativistic Effects
• +7 more

Dr. Edward L. Quitevis is a Professor in the Department of Chemistry and Biochemistry at Texas Tech University, holding joint appointments in Physics. He earned his Ph.D. from Harvard University (1981) and completed postdoctoral research at the University of Toronto (1981-1984). His research focuses on the dynamics of complex fluids, particularly ionic liquids and supercooled liquids, using advanced techniques like optical heterodyne-detected Raman-induced Kerr effect spectroscopy (OHD-RIKES) and fluorescence recovery after photobleaching (FRAP). Key interests include nanostructural organization in ionic liquids, intermolecular dynamics, and the glass transition phenomenon in supercooled systems. Current research themes include understanding the relationship between nanostructure and dynamics in ionic liquids, studying ultraslow translational/rotational diffusion near the glass transition, and exploring applications of ionic liquids in materials science. His group has developed novel insights into the role of cation-anion interactions and nanoscale segregation in these systems. Dr. Quitevis collaborates widely, with publications in top journals like Physical Chemistry Chemical Physics and Journal of Chemical Physics . Students advised include Jagdeep Kaur, Dujuan Meng, Mahesh Thakurathi, and Sophia Sagala. His lab focuses on experimental and theoretical approaches to probe liquid-state dynamics, with recent work on cellulose dissolution, graphene exfoliation in ionic liquids, and lubrication applications.

• Physical Chemistry
• Chemical Physics
• Dynamics of Complex Fluids
• +4 more

Jindal Shah is a Professor and holds the Anadarko Petroleum Chair in Chemical Engineering at Oklahoma State University, where he also serves as the Graduate Program Director. He is affiliated with the Department of Chemical Engineering within the College of Engineering at Oklahoma State University. Dr. Shah received his educational training from prestigious institutions worldwide. He earned his Ph.D. in Chemical Engineering from the University of Notre Dame in 2005, followed by an M.S. in Environmental Engineering from the University of Cincinnati in 1999, and completed his undergraduate education with a B.Tech. in Chemical Engineering from the Indian Institute of Technology (IIT) Bombay in 1996. Dr. Shah's research focuses on the application of molecular simulation methodologies to understand molecular-level interactions that give rise to macroscopic phenomena. His primary research interests include Monte Carlo and Molecular Dynamics Simulations, Phase Equilibria, Ionic liquids, and Dye-sensitized solar cells. A significant portion of his work centers on designing novel biodegradable ionic liquids with properties suitable for chemical processes, with applications in next-generation batteries and carbon capture. He also investigates molecular-level interactions responsible for device efficiency in dye-sensitized solar cells to rationally design novel dye molecules. Additionally, Dr. Shah employs data science and machine learning techniques to correlate properties of ionic liquids and generate new molecules with desired properties. An analysis of Dr. Shah's recent publications reveals a strong focus on ionic liquids and their applications in energy storage and carbon capture technologies. His work consistently bridges fundamental molecular-level understanding with practical applications, particularly in developing electrolytes for batteries and CO2 capture systems. A notable trend is the integration of machine learning techniques with traditional molecular simulation methods to accelerate materials discovery and optimization. His research demonstrates a progression from fundamental molecular simulations toward applied technologies with significant environmental impact, particularly in climate action (SDG 13) and affordable clean energy (SDG 7). Dr. Shah has secured substantial research funding from multiple prestigious sources including the National Science Foundation, U.S. Department of Energy, National Aeronautics and Space Administration, and industry partners. His funded projects include 'Collaborative Research: Cyber Training-Implementation, Medium, Establishing Sustainable Ecosystem for Computational Molecular Science Training & Education' (NSF), 'Ionic Liquids for Direct Air Capture of CO2 using Electric-Field-Mediated Moisture Gradient Process' (DOE), and 'CAREER: Computation-Enabled Rational Design of Cytochrome P450 for Ionic Liquid Biodegradation' (NSF). These grants support his research in computational molecular science, CO2 capture technologies, and the development of biodegradable ionic liquids. As an educator, Dr. Shah has been actively involved in teaching graduate courses including Principles of Chemical Engineering Thermodynamics, Doctoral Thesis supervision, and specialized courses such as Machine Learning for Chemical Processes and Introduction to Chemical Process Analytics. His teaching philosophy integrates cutting-edge research with educational practice, preparing students for the computational challenges of modern chemical engineering. He has also mentored numerous doctoral students through their dissertation research, contributing to the development of the next generation of chemical engineers and computational scientists.

• Monte Carlo Simulations
• Molecular Dynamics Simulations
• Phase Equilibria
• +11 more