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Prof. Kai S. Exner is a Professor of Theoretical Inorganic Chemistry at the University of Duisburg-Essen's Faculty of Chemistry and a member of the Zentrum für Medizinische Biotechnologie (ZMB). His research focuses on electrocatalysis , particularly optimizing electrode materials for energy applications such as batteries, electrolyzers, and fuel cells. He employs computational methods like ab initio calculations and microkinetic modeling to bridge theoretical insights with experimental and industrial applications, emphasizing sustainable catalyst design without relying on noble metals. His work integrates basic research with applied medical biotechnology through ZMB collaborations, though his primary affiliation lies in the Faculty of Chemistry. Exner has pioneered concepts like the electrochemical-step asymmetry index and free-energy span model, which are critical for screening electrocatalysts. His research group, 'Theoretical Inorganic Chemistry,' actively explores mechanisms behind oxygen and chlorine evolution reactions, emphasizing selectivity control and reaction pathway complexity. Exner received the Gottschalk-Diederich-Baedeker-Preis (2024) for advancing the energy transition through foundational electrocatalysis research. He leads Aktuelles Projekt funded by third-party grants and collaborates with facilities like the Analytics Core Facility Essen (ACE) and Imaging Center Campus Essen (ICCE). His advisory role focuses on guiding theoretical and computational approaches in electrochemistry, and he has established a reputation for interdisciplinary research connecting computational chemistry with practical energy solutions.

• Electrocatalysis
• Inorganic Chemistry
• Materials Science
• +7 more

Changxi Zheng is an Associate Professor in the Department of Computer Science at Columbia University's School of Engineering and Applied Science (SEAS). He directs Columbia's Computer Graphics Group (C2G2) within the Columbia Vision and Graphics Center (CVGC). After receiving his PhD from Cornell University, he joined the faculty of Computer Science Department at Columbia, where he has established himself as a leading researcher in computer graphics and scientific computing. Dr. Zheng's research spans multiple areas of applied computer science with a particular focus on computer graphics and scientific computing. His work centers around developing numerical models for simulating physical phenomena involving complex motions such as fluids, bubbles, and thin rods, along with their resulting acoustic waves. Leveraging computational insights from these models, he devises methods for improving tangible object creation, enabling novel human-computer interactions, and developing software tools for acoustic and photonic devices. His research has attracted significant public interest and media coverage, including projects like FontCode, AirCode, and Computational Metallophone Design. His recent publications reveal a strong interdisciplinary approach, bridging computer graphics, physics simulation, machine learning, and hardware design. His work demonstrates consistent innovation in computational methods for simulating physical phenomena and applying these techniques to practical problems in 3D printing, acoustic modeling, and interactive systems. The breadth of his research spans from fundamental physics-based simulations to practical applications in industry. Columbia SEAS Dean's Fellow (for advised students) NSF Graduate Research Fellow (for Ruilin Xu) Snap Research Fellow (for Rundi Wu) CKGSB Fellow (for Yun Fei) Adobe Research Fellow (for Gabriel Cirio) Marie Sklodowska-Curie Individual Fellow (for Rundi Wu) Best Paper Award at ACM International Conference on Multimedia (ACMMM), 2019 Dr. Zheng actively mentors a diverse group of students, including current PhD candidates and postdoctoral researchers. His research group has received support from various sources that enable their innovative work in computational graphics and physics-based simulation. He has supervised numerous successful students who have gone on to positions at leading technology companies including Adobe, Tencent, Facebook, and academic institutions. As director of Columbia's Computer Graphics Group (C2G2) within the Columbia Vision and Graphics Center (CVGC), Dr. Zheng leads a vibrant research team focused on advancing the state of the art in computer graphics, physics-based simulation, and their applications. The group maintains strong collaborations with industry partners and academic institutions worldwide, fostering an environment of innovation and practical application of theoretical concepts.

• Computer Graphics
• Scientific Computing
• Physics-Based Sound Synthesis
• +7 more

Professor Mikko Haataja is a distinguished faculty member in the Department of Mechanical and Aerospace Engineering at Princeton University's School of Engineering and Applied Science. Holding a Ph.D. from McGill University (2003), he leads the Haataja Research Group focused on theoretical and computational approaches to materials science and physical biology. His office is located in D404C Engineering Quadrangle, and he serves as an advisor to numerous graduate students working at the intersection of physics, materials science, and biology. Professor Haataja's research spans multiple domains including theoretical and computational materials science, physics of materials, and physical biology. His work examines microstructure formation during solid-solid phase transformations and solidification, growth of electrodeposited thin films and quantum heterostructures, dynamics of driven interfaces with mobile impurities, recrystallization kinetics, cell signaling mechanisms, and the regulation & self-organization of 'lipid rafts' in plasma membranes. His group has pioneered concepts in 'dynamically programmable electromechanical 2D materials' and investigates phase separation phenomena in biological systems. His publication record demonstrates significant contributions across several key areas: intracellular phase transitions and biomolecular condensates, 2D transition metal dichalcogenide materials, lipid bilayer membrane physics, solid oxide fuel cells and batteries, and organic semiconductor thin films. His most recent work focuses on amyloid-like fibril formation, liquid-liquid phase separation in biological contexts, and defect engineering in 2D materials, reflecting his interdisciplinary approach that bridges physics, materials science, and biology. Professor Haataja actively mentors graduate students and postdoctoral researchers, with numerous co-authored publications indicating strong advising relationships. His research program encompasses multiple funded projects investigating materials for energy conversion and storage, intracellular organization mechanisms, and novel 2D material systems. The Haataja Group maintains strong collaborations with other Princeton researchers and external institutions, particularly in the fields of biophysics and advanced materials. The Haataja Group operates as a dynamic research laboratory employing computational modeling and theoretical approaches to address fundamental questions in materials science and biophysics. Their work spans from atomic-scale simulations to continuum modeling, with particular emphasis on phase-field crystal models, membrane biophysics, and 2D material systems. The group maintains specialized computational infrastructure for multiscale modeling and collaborates extensively with experimental groups to validate theoretical predictions.

• Theoretical and computational materials science
• Physics of materials
• Physical biology
• +13 more

Anthony Rollett is a Professor in the Department of Materials Science and Engineering at Carnegie Mellon University , where he has been a faculty member since 1995. He serves as the Principal Investigator and Co-Director of the NASA-supported Institute for Model-Based Qualification & Certification of Additive Manufacturing (IMQCAM) and co-director of the Next Manufacturing Center . Prior to CMU, he held leadership roles at Los Alamos National Laboratory (1991-1995). Education: Ph.D., Materials Engineering, Drexel University (1987) MA, Metallurgy and Materials Science, Cambridge University (1977) Research Interests: Rollett’s work focuses on microstructural evolution and microstructure-property relationships in 3D using experiments and simulations. His expertise spans additive manufacturing , metal 3D printing , materials for energy systems , grain growth , recrystallization , and stereology , with techniques like high-energy diffraction microscopy (HEDM) and dynamic x-ray radiography (DXR) . Scientific Contributions: He has over 320 peer-reviewed publications and an h-index >80 . His recent articles highlight machine learning for laser processing , fatigue analysis of additively manufactured alloys, and design optimization for heat exchangers in supercritical CO2 and solar thermal applications . Scientific Awards: Fellow of ASM International (1996) Fellow of the Institute of Physics (UK) (2004) Fellow of The Minerals, Metals & Materials Society (TMS) (2011) Cyril Stanley Smith Award (TMS, 2014) Member of Honor, French Metallurgical Society (2015) US Steel Professor (2017) Francqui International Professor (2020-2021) International FAME Award (2023) Leadership & Impact: Rollett co-led the development of a NASA Space Technology Research Institute for additive manufacturing and established a new master’s program in additive manufacturing (2018). His research group is funded by industry , federal agencies , and Pennsylvania state grants . He also serves on the Basic Energy Science Advisory Committee and Defense Programs Advisory Committee for the Department of Energy.

• Additive Manufacturing
• Advanced Materials Processing and Manufacturing
• Digital Twins
• +6 more

Yao Yang is an Assistant Professor in the Department of Chemistry and Chemical Biology at Cornell University's College of Arts and Sciences. His research focuses on developing multimodal operando electron microscopy and synchrotron X-ray methods to probe electrochemical dynamics at solid-liquid interfaces for energy materials. PhD, Cornell University (2021) Miller Postdoctoral Fellow, UC Berkeley (2021-2024) Research interests span fundamental electrochemistry and energy material interfaces, particularly CO2 reduction, clean H2 production, and rechargeable batteries. The Yang group specializes in operando electrochemical liquid-cell scanning transmission electron microscopy (EC-STEM) and correlative synchrotron X-ray methods at Cornell Center for Materials Research (CCMR) and Cornell High Energy Synchrotron Source (CHESS). Recent publications highlight atomic-scale imaging of catalyst dynamics, Tafel slope analysis, and epitaxial growth techniques for enhanced electrocatalysts. Articles demonstrate interdisciplinary approaches combining electrochemistry, nanoscience, and advanced characterization. Scientific Awards: 2025 ACS Materials and Interfaces Outstanding Presentations by Young Investigators Award 2024 Journal of Materials Research Distinguished Invited Speaker Miller Postdoctoral Fellowship (2021-2024) 2023 Best Early Career Presentation at MRS Spring 2022 ACS AC/DC Rising Stars in Analytical Chemistry Contact: yaoyang@cornell.edu

• Electrochemistry
• Materials Science
• Energy Materials
• +3 more

Dr. Adriana Bocchini is a Researcher at the University of Paderborn , affiliated with the Theoretical Materials Physics department and the Quantum Materials Modelling group. Her work focuses on computational modeling of materials, particularly crystal defects, surface adsorption, and electrochemical properties using advanced theoretical methods. Research Interests: Adriana's research spans Theoretical Materials Physics and Quantum Materials Modelling , with a focus on Defect modeling in ferroelectric materials Surface adsorption mechanisms Electronic structure calculations First-principles simulations Recent Publications: She has contributed to studies on radiation-induced defects in KTiOPO 4 , Mg doping effects in lithium niobate, phosphonic acid interactions with bismuth oxide, and electrochemical properties of doped RTP crystals, all leveraging computational approaches like Density Functional Theory (DFT). Labs & Teams: Adriana is actively involved in the Theoretical Materials Physics and Quantum Materials Modelling groups at the University of Paderborn, advancing computational studies in materials science.

• Theoretical Materials Physics
• Quantum Materials Modelling
• Computational Materials Science
• +3 more

Assoc Prof Ng Teng Yong is an Associate Professor at the School of Mechanical & Aerospace Engineering (NTU), specializing in numerical modeling and simulation. With a background as Research Manager at A*STAR Institute of High Performance Computing, his work spans materials science, nanotechnology, and aerospace engineering. Current focus on graphene-based desalination membranes Expertise in molecular dynamics simulations Investigates nanoscale fluid mechanics and structural dynamics Recent publications highlight advancements in energy-efficient electrodialysis, smart robotics, and nonlinear vibration analysis. His interdisciplinary approach integrates computational methods with experimental validation in additive manufacturing and soft material mechanics.

• Numerical Modeling
• Computational Simulation
• Materials Science
• +5 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

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.

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

Preet Singh is a Professor and Associate Chair for Graduate Studies in the School of Materials Science and Engineering at Georgia Tech, with affiliations to the College of Engineering. His research focuses on corrosion science, electrochemistry, and environmental degradation of materials, particularly metals and alloys. Prior to joining Georgia Tech in 2003, he was a faculty member at the Institute of Paper Science and Technology (IPST), where he investigated corrosion issues in the pulp and paper industry. Professor Singh's work explores fundamental mechanisms of material degradation in industrial environments, aiming to develop mitigation strategies against environment-induced failures. Key research areas include corrosion fatigue, hydrogen embrittlement, stress corrosion cracking, and oxidation behavior. His group employs experimental approaches to study material reliability under varying chemical and mechanical conditions. Recent publications demonstrate interdisciplinary collaboration across oncology, agriculture, and energy systems, reflecting broad applications of materials science principles. Research trends show increased focus on biomedical materials and sustainable technologies alongside core corrosion studies. Professor Singh advises graduate students including Abdullah Alzubail, Yousif Al Rabie, Sai Shreeya, Yara, and Sean Li. He directs the Corrosion and Materials Reliability Laboratory (CMCRL), which partners with industry to solve practical engineering challenges related to material performance.

• Corrosion Science
• Electrochemistry
• Metals and Alloys
• +5 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

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

Mohammadreza Karamad is an Assistant Professor in the School of Sustainable Energy Engineering at Simon Fraser University (SFU), with a joint appointment in the Sustainable Energy Engineering department. His research focuses on computational materials discovery, leveraging quantum-mechanical methods (e.g., DFT) and machine learning (ML) to design advanced energy materials for clean technologies like hydrogen storage and catalysis. He holds a Ph.D. from the Technical University of Denmark (DTU) and completed postdoctoral research at Stanford University. His academic background includes leadership roles in the CMD Lab (Computational Materials Discovery), where he explores novel materials for electrochemical energy conversion processes. Key research areas include electrochemistry, heterogeneous catalysis, and material science, with a particular emphasis on CO2 reduction, ammonia synthesis, and sustainable energy storage solutions. Dr. Karamad collaborates with industry and academic partners to advance materials discovery through high-throughput computational screening and AI-driven approaches. He actively seeks motivated students (undergraduate and graduate) to join his research program, focusing on developing next-generation energy materials. His lab is located in room B8220, and he can be reached at mkaramad@sfu.ca. Notable technical contributions include pioneering work on transition metal nitrides for CO2 reduction, single-atom catalysts for ammonia synthesis, and machine learning frameworks for predicting material properties. His research bridges fundamental theory with practical applications, addressing global challenges in sustainable energy and environmental technology.

• Electrochemistry
• Heterogeneous Catalysis
• Material Science
• +3 more

Dist. Professor Leslie Yeo is a distinguished faculty member at RMIT University's School of Engineering, where he leads the Micro/Nanophysics Research Laboratory (MNRL). With a PhD from Imperial College London (2002), he has held positions at Monash University and the University of Notre Dame before joining RMIT. His research focuses on the interactions between high-frequency sound waves and matter at micro and nanoscales. Leslie Yeo's educational background includes a PhD from Imperial College London (2002), where he received the Dudley Newitt prize for outstanding computational/theoretical work. Prior to his academic career, he worked as a Mathematical Modeller at Det Norske Veritas UK. He held prestigious Australian Research Fellowships (2009-2017) that supported his groundbreaking work in micro and nanophysics. Professor Yeo's research interests center around high-frequency (MHz order) sound waves interacting with various materials including fluids, two-dimensional and bulk crystals, biomolecules, cells and microorganisms. His work explores both fundamental physicochemical phenomena and practical applications in microfluidics, drug delivery, diagnostics, tissue engineering, and materials synthesis. His research has significant implications for health technologies, environmental applications, and sustainable energy solutions, aligning with UN Sustainable Development Goals 3 (Good Health and Well-Being) and 7 (Affordable and Clean Energy). Analysis of Professor Yeo's recent publications reveals a strong focus on acoustofluidics and its diverse applications. His work demonstrates expertise in using surface acoustic waves for bacterial inactivation, synthesis of metal-organic frameworks, cell membrane manipulation, and energy conversion technologies. The research spans multiple disciplines including biomedical engineering, materials science, and environmental technology, with particular emphasis on practical applications that address real-world challenges. 2023: Fellowship of the Institution of Engineering & Technology (FIET) 2021: RMIT University Science, Technology, Engineering & Medicine College Research Impact Award 2019: RMIT University Distinguished Professorship 2018: RMIT University Vice-Chancellor's Award for Research Excellence 2016: Johnson & Johnson World Without Disease Quickfire Challenge Award 2007: Young Tall Poppy Science Award Professor Yeo has supervised numerous research students across engineering and science disciplines, with current projects focusing on acoustomicrofluidic synthesis of nanomaterials, high-frequency mechanobiology applications, and diagnostic technologies. His editorial roles include Editor-in-Chief of the American Institute of Physics journal Biomicrofluidics and Associate Editor of Frontiers in Bioengineering & Biotechnology. His work has been widely featured in media outlets including ABC's Catalyst, The Economist, and Nature. The Micro/Nanophysics Research Laboratory under Professor Yeo's leadership is at the forefront of fundamental and applied research on nonlinear high-frequency electroacoustic interactions. The laboratory has discovered novel physicochemical phenomena and actively develops theories to explain the fundamental mechanisms behind these discoveries, with applications ranging from medical diagnostics to sustainable energy solutions.

• Microfluidics and nanofluidics
• Acoustics and acoustical devices; waves
• Mechanobiology
• +6 more

Olle Eriksson is a Professor in the Department of Physics and Astronomy at Uppsala University, specifically affiliated with the Materials Theory division. His research focuses on theoretical and computational approaches to understanding magnetic materials and their properties. His primary research interests include first principles calculations of bulk materials and surfaces, with particular emphasis on magnetism and chemical bonding. His methodological expertise spans full-potential implementations of density functional theory, dynamical mean-field theory, and self-interaction correction. He also conducts calculations of finite temperature magnetism using Monte Carlo simulations and atomistic spin-dynamics simulations, as well as investigations into lattice dynamics and finite temperature effects on phase stability. Professor Eriksson's recent work demonstrates a strong focus on magnetocaloric materials for magnetic refrigeration applications, two-dimensional magnetic materials including van der Waals magnets, topological magnetic textures such as skyrmions, and computational methods for improving density functional theory. His research has significant implications for energy-efficient cooling technologies, next-generation spintronic devices, and fundamental understanding of quantum magnetic phenomena. Materials Science : Magnetocaloric materials, battery materials, 2D materials Computational Physics : Density functional theory, Monte Carlo simulations, spin dynamics Magnetism : Topological textures, chiral magnets, ultrafast dynamics His extensive publication record shows consistent contributions to high-impact journals across physics and materials science, with a notable increase in interdisciplinary work connecting computational physics with materials design for energy applications.

• Density Functional Theory
• Magnetism
• Chemical Bonding
• +7 more