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Dr. Alexey Ignatchenko is an Associate Professor in the Department of Chemistry at St. John Fisher College, specializing in heterogeneous catalysis, nanostructured materials, and computational modeling. His research focuses on catalytic mechanisms involving carboxylic acid decarboxylation, reaction kinetics on metal oxide surfaces, and the design of 3D periodic carbon-based materials like Schwarzites. He holds a Ph.D. and B.S. in Chemistry from Moscow State University. Research Interests: Dr. Ignatchenko’s work spans heterogeneous catalysis (e.g., ketonization reactions), surface chemistry, and the synthesis of nanostructured materials. His group investigates reaction mechanisms using computational modeling and experimental techniques, with recent emphases on carbon heptagon-based 3D surfaces and the reversibility of catalytic processes. Grants & Funding: His research has been supported by a National Science Foundation (NSF) grant for nanoscience research. Key projects include NSF-funded studies on catalytic mechanisms and materials design. Labs & Collaborations: Leads the Ignatchenko Research Group, offering opportunities for undergraduate students in areas such as 3D material synthesis, electrochemical ammonia synthesis, and computational chemistry. Collaborates on projects involving zirconia and titania catalysts, and has published extensively in journals like Catalysis Today and Journal of Physical Chemistry C .

• Heterogeneous Catalysis
• Nanoparticle Synthesis
• Reaction Mechanisms on Catalyst Surfaces
• +3 more

Albert Kwansa is an Assistant Research Professor at the Department of Materials Science and Engineering, College of Engineering, North Carolina State University. His research focuses on biomaterials, polymer science, and computational modeling, with emphasis on bioinspired materials, cellulose synthase mechanisms, and conductive polymer systems. He has authored numerous peer-reviewed articles on topics ranging from proton-conductive biohybrid materials to molecular dynamics simulations of polymer degradation. Key research interests include: bioinspired optoelectronics, protein-membrane interactions, and advanced polymer processing techniques. His work integrates experimental and computational approaches to address challenges in sustainable materials and biomedical engineering. Recent publications highlight advancements in reflectin-based proton conductors, PEDOT:PSS stabilization for organic electronics, and structural elucidation of plant cellulose synthase complexes. These studies underscore his multidisciplinary approach to materials innovation. No formal awards or named grants are listed in the provided materials. He advises no formally registered graduate students but collaborates widely across interdisciplinary research groups. His lab is part of the MSE Department's materials characterization and biomaterials research clusters.

• Materials Science
• Biomaterials
• Polymer Science
• +3 more

Gap Soo Chang is Professor in Physics & Engineering Physics at the University of Saskatchewan. His research integrates computational and experimental approaches to materials science including energy harvesting/storage systems and bioactivity prediction models. Key research directions: First-principles toxicity estimation frameworks Synchrotron spectroscopy of advanced materials Quantum material design via DFT/MD simulations Big data analysis in materials science Recent publications demonstrate innovations in 2D material discovery and computational toxicology. Research combines synchrotron characterization with machine learning for materials performance prediction.

• Materials Science
• Computational Physics
• Synchrotron Spectroscopy
• +2 more

Gianni Profeta is a Full Professor at the Department of Physical and Chemical Sciences at the University of L'Aquila, affiliated with the CNR Institute for Superconductors, Innovative Materials, and Devices. His research spans superconductivity, quantum materials, and experimental particle physics, with a focus on electron-phonon interactions, 2D materials, and dark matter detection. He leads the COSINUS experiment for dark matter search using cryogenic detectors and contributes to theoretical/computational studies via tools like EPIq software. Expertise: Superconductivity, Condensed Matter Physics, Detector Technology Key Projects: COSINUS dark matter experiment, Vanadium trihalide investigations, Graphene functionalization studies Experimental Facilities: Dry dilution refrigerators, scanning tunneling microscopy setups Research emphasizes interdisciplinary approaches combining computational modeling (e.g., DFT) with advanced experimental techniques. His work bridges fundamental material science with applications in particle physics instrumentation.

• Superconductivity
• Condensed Matter Physics
• Materials Science
• +3 more

Brian H. Do is an Assistant Professor in the School of Mechanical, Industrial, and Manufacturing Engineering at Oregon State University's College of Engineering. He directs the Do Robotics Lab, focusing on human-centered robotics capable of adapting to physical environments through morphological and mechanical property changes. His research integrates three interconnected domains: 1) Design and modeling of soft and reconfigurable robots, 2) Development of variable stiffness systems for manipulation and haptics, and 3) Creation of bioinspired robotic systems. Core methodologies include computational modeling techniques ranging from density functional theory to kinetic Monte Carlo simulations and machine learning integration. Dr. Do's publication record demonstrates consistent innovation in robotics and electrocatalysis, with recent breakthroughs in inflatable beam reconfiguration, layer jamming actuators, and transition metal nitride catalysts. His work appears in high-impact journals including Soft Robotics and IEEE/ASME Transactions on Mechatronics. Honors include the Trailblazer in Engineering award (2023) and Robotics: Science and Systems Pioneer recognition (2021). His research contributes to OSU's position as a robotics powerhouse, with projects supported through graduate teaching assistantships and external funding. Current initiatives focus on sustainable energy conversion through catalyst design and human-robot interaction systems.

• Soft Robotics
• Growing Robots
• Variable Stiffness Systems
• +3 more

David E. Herbert is a Professor of Chemistry at the University of Manitoba, affiliated with the Faculty of Science and the Manitoba Institute for Materials (MIM). His research focuses on synthetic chemistry at the intersection of inorganic, organometallic, organic, and materials chemistry, emphasizing ligand design to enhance sustainability in energy, synthesis, and materials. His group develops novel molecular structures for applications in clean energy, sustainable synthesis, and display technologies. Notable achievements include the synthesis of luminescent platinum complexes, redox-active iron complexes with long-lived excited states, and innovative materials for photovoltaics and sensors. Collaborations with institutions like SLAC National Accelerator Laboratory and the Max-Planck-Institut für Chemische Energiekonversion highlight his international impact. Dr. Herbert has mentored numerous students, including Dion B. Nemez, Rajarshi Mondal, and Jason Braun, who have achieved academic and professional success. He has been recognized with awards such as the NSERC CGS-D, Azrieli Postdoctoral Fellowship, and IUCr Poster Prize. His research spans topics like electrochemical hydrogenation, organometallic catalysis, and single-molecule magnetism, with over 100 publications in top journals like Journal of the American Chemical Society and Nature Chemistry . Group activities include the SHArK North program, mentoring high school students in materials research, and participation in conferences like the Canadian Society of Chemistry Conference. His lab emphasizes sustainability and interdisciplinary innovation in materials science.

• Synthetic Chemistry
• Inorganic Chemistry
• Organometallic Chemistry
• +5 more

Georg Kastlunger is an Associate Professor at the Department of Physics, Technical University of Denmark (DTU), affiliated with the Surface Physics and Catalysis group and the Center for Catalysis Theory. His research focuses on electrocatalysis, CO2 reduction, and theoretical modeling of surface reactions. He has contributed to understanding reaction mechanisms in CO2 electrolysis, electrochemical barriers, and catalyst design. Education: PhD in Physics (inferred from role) Affiliations: DTU's Center for Catalysis Theory, Surface Physics Group Research interests include computational electrochemistry, density functional theory (DFT) applications, and sustainable energy materials. Recent work explores tandem catalytic effects, non-Nernstian electrochemical phenomena, and biomass valorization. He supervises multiple PhD students investigating electrochemical reaction pathways and catalyst design. Publications emphasize mechanistic insights into CO2 reduction, water adsorption on metals, and molecular dynamics simulations in alkaline environments. Projects include theoretical investigations of electrochemical oxidation reactions and computational discovery of clean energy materials. Advising: Supervising 5 PhD students (Giese, Jensen, Xu, Liu, Tsang) Grants/Projects: 6 active and completed projects on catalysis theory and electrochemical systems Labs/Teams: Active in DTU's catalysis research groups, focusing on atomistic modeling and experimental-computational collaborations.

• Electrocatalysis
• CO2 Reduction
• Density Functional Theory
• +3 more

Thomas Bligaard is a Professor at the Technical University of Denmark (DTU) in the Department of Energy Conversion and Storage. His research focuses on atomic-scale materials modeling, heterogeneous catalysis, and computational methods such as density functional theory (DFT), machine learning, and micro-kinetic modeling. He leads the Atomic Scale Materials Modelling group and contributes to the Center for Catalysis Theory and the VISION Center for Visualizing Catalytic Processes. Research interests include designing functional materials for energy applications, optimizing catalytic processes, and advancing computational tools like the GPAW software package. His work addresses challenges in CO2 reduction, electrocatalysis, and catalyst discovery. Collaborations span theoretical and experimental studies, with a focus on sustainable energy solutions aligned with UN Sustainable Development Goals. Recent projects include benchmarking water adsorption on metal surfaces, developing machine learning approaches for catalyst optimization, and imaging atomic processes in catalysts using advanced microscopy techniques. He supervises multiple PhD students in catalysis and computational materials science. Bligaard has published extensively on topics ranging from theoretical catalysis to computational methods, with a strong emphasis on bridging theory and experimental validation. His research aims to accelerate the discovery of clean energy materials through interdisciplinary approaches.

• Heterogeneous Catalysis
• Density Functional Theory
• Machine Learning in Materials Science
• +5 more

Marcel Swart is a Full Professor and ICREA Professor of Theoretical Chemistry at the University of Girona (UdG), affiliated with the Institute of Computational Chemistry and Catalysis (IQCC) and the Faculty of Science. He holds a PhD from the University of Groningen and completed postdoctoral research in Amsterdam. His research focuses on theoretical and computational chemistry, particularly transition-metal reactivity, catalysis, and spin-state effects in bioinorganic systems. He has led the IQCC as Director (2015–2023), served as Editor for Inorganica Chimica Acta , and pioneered software like the Amsterdam Modeling Suite (AMS) and MSXC system. Affiliations: IQCC, Department of Chemistry (UdG), and multiple editorial roles. Education: PhD in Theoretical Chemistry (Groningen, 2002), postdocs at University of Amsterdam. Research interests include computational catalysis , metal-oxo intermediates , spin-state effects , and method development . His work bridges theory and experiment, with applications to energy and environmental chemistry. Key contributions include the MSXC computational framework and studies on high-valent iron and copper systems. Awards: Fellow of the Royal Society of Chemistry (2015), Member of Academia Europaea (2019), MGMS Silver Jubilee Prize (2012). Swart has supervised numerous PhD students and collaborates globally on predictive computational chemistry for confined-space catalysis. His labs focus on open science practices, including reproducible data sharing and open-access publishing.

• Theoretical Chemistry
• Computational Chemistry
• Catalysis
• +7 more

Dr. Agustí Lledó is an Associate Professor in the Chemistry Department at the University of Girona (UdG), leading the Organic Supramolecular Chemistry (QOS) group at the IQCC. His research focuses on molecular recognition, bioinspired catalysis, and organometallic chemistry. He holds a PhD from the University of Barcelona (2006) and completed postdoctoral studies at The Scripps Research Institute (TSRI) under Prof. Julius Rebek Jr. He joined IQCC as a Ramón y Cajal researcher in 2014 before becoming an Associate Professor in 2019. Education: PhD in Chemistry (2006, UB), postdoc at TSRI (2007–2010), and a Juan de la Cierva fellowship at IRB Barcelona (2010–2014). Research interests include supramolecular receptors, transition metal catalysis, fullerene functionalization, and carbon nanostructure synthesis. Key projects: biomimetic catalysis (RyC grant) and bottom-up carbon nanotube synthesis (Explora Ciencia grant). Grants: Ramón y Cajal fellowship (2014), Explora Ciencia (CTQ2014-61629-EXP), and multiple collaborations with Prof. Miquel Costas and others. His lab uses molecular dynamics simulations and computational chemistry to study receptor dynamics. Students advised: Ricard López-Coll, Rubén Álvarez-Yebra, David Lozano Mena, and others. Collaborations include UTEP’s Prof. Luis Echegoyen and the DiMoCat group. Labs/Teams: QOS group at IQCC, part of the DiMoCat consortium. Active in Girona Seminars and outreach events like Science Slam.

• Organic Supramolecular Chemistry
• Bioinspired Catalysis
• Organometallic Chemistry
• +3 more

Dr. Anna Pla-Quintana is a Research Professor at the University of Girona (UdG), affiliated with the Institute of Computational Chemistry and Catalysis (IQCC) and the Department of Chemistry in the Faculty of Science. She completed her PhD in Chemistry at UdG under Prof. Anna Roglans and held a postdoctoral fellowship at the Laboratoire de Chimie de Coordination (France). Since 2009, she has led a research team at IQCC focusing on transition-metal-catalyzed cycloaddition and cyclization reactions, with an emphasis on mechanistic studies and fullerene functionalization. Her work integrates experimental and computational methods to design sustainable catalytic processes for organic synthesis and nanomaterial development. Key research areas include rhodium- and copper-catalyzed reactions, regioselectivity control, and predictive chemistry approaches. Her academic journey includes a lecturer position at UdG since 2007 and a permanent faculty role since 2009. Research collaborations span catalytic methodologies, organometallic chemistry, and the synthesis of complex heterocyclic scaffolds. Recent studies highlight the functionalization of fullerenes and the development of novel catalytic systems for sustainable organic synthesis. Publications since 2023 focus on cycloaddition mechanisms, rhodium-catalyzed cascades, and the application of predictive computational models. Her work has been published in journals like Angew. Chem. Int. Ed. , ACS Catal. , and Adv. Synth. Catal. . The research team actively explores reaction pathways, ligand design, and the synthesis of functional materials. Labs and teams: Her group is part of the IQCC, a global leader in computational chemistry and catalysis, emphasizing predictive methods for catalyst design and confined-space reactions.

• Transition Metals in Organic Synthesis
• Catalysis
• Cycloaddition Reactions
• +5 more

Catherine Moulder is a Lecturer in the Department of Chemistry at South Dakota School of Mines and Technology. Her research employs computational methods to study catalytic reactions involving transition metals and explores drug design through molecular interactions. She holds a PhD in Inorganic Chemistry from the University of North Texas and dual BS degrees in Chemistry and Mathematics. Research focuses on computational modeling of transition metal catalysts and drug-biomolecule interactions, aiming to optimize chemical transformations and therapeutic designs.

• Computational Chemistry
• Catalysis
• Transition Metal Chemistry
• +1 more

Chrysanthos Gounaris is an Assistant Professor in the Department of Chemical Engineering at Carnegie Mellon University (CMU), affiliated with the College of Engineering. He is the director of the Shared Computing Facility at CMU and a member of the Center for Advanced Process Decision-Making (CAPD) and the Wilton E. Scott Institute for Energy Innovation. His research focuses on advanced process decision-making, AI-driven optimization, energy systems, decarbonization, materials science, and pharmaceutical development. Gounaris holds a Ph.D. from Princeton University (2008) and previously worked at McKinsey & Co. and as a postdoctoral researcher at Princeton. Education: Ph.D. in Chemical Engineering, Princeton University (2008) M.A. in Chemical Engineering, Princeton University (2005) M.Sc. in Automation Systems, National Technical University of Athens (2003) Dipl. in Chemical Engineering, National Technical University of Athens (2002) His research interests include process systems engineering, robust optimization, nanostructured materials design, and sustainable energy systems. He collaborates with companies like Eli Lilly to develop optimization tools for pharmaceutical R&D and has secured grants from the U.S. Department of Energy. Gounaris has advised notable students such as Megan Walsh (AIChE award winner) and Ashlesha Tiple. His work spans computational discovery of materials, vehicle routing optimization, and strategic decision-making under uncertainty. He leads the CAPD, which hosts annual meetings to advance enterprise-wide optimization methodologies.

• Advanced Process Decision-Making
• AI and Machine Learning
• Energy Systems and Climate
• +7 more

Zhuangnan Li is a Herchel Smith Research Fellow at the Department of Materials Science & Metallurgy, University of Cambridge. His work focuses on 2D materials for electrochemical energy storage, particularly lithium-sulfur batteries and supercapacitors. He holds a BSc from Jilin University, MEng from the University of Manchester, and PhD from University College London. His research explores metallic transition metal dichalcogenides (TMDs) as sulfur hosts in Li-S batteries to address energy density and cycling stability challenges. He also investigates graphene-based electrodes for supercapacitors, emphasizing molecular-level engineering and 3D architectures to enhance surface area and conductivity. Recent achievements include proof-of-concept Li-S pouch cells with improved performance and scalable MoS₂ nanosheet production. Literature contributions span advanced characterization techniques for Li-S cathodes, polysulfide dynamics, and high-entropy single-atom catalysis. His work bridges fundamental material science with practical energy storage solutions, targeting high-performance, fast-charging systems. Led the 2D Materials and Devices Group, collaborating on projects like quasi-solid-state electrolytes and biochar-based supercapacitors. Active in cross-disciplinary initiatives, including EPSRC-funded energy storage programs. Current research emphasizes scalable synthesis methods and in-situ electrochemical analysis for next-generation devices.

• Electrochemical Energy Storage
• 2D Materials
• Lithium-Sulfur Batteries
• +3 more

Hong Guo is the James McGill Professor of Physics at McGill University's Department of Physics. He holds a Ph.D. from the University of Pittsburgh (1987). His research focuses on quantum electronic transport theory in nanoelectronics and materials physics of nanotechnology, emphasizing first-principles computational methods like NEGF-DFT and the RESCU real-space electronic structure technique. He teaches courses such as Electricity and Magnetism (PHY-242) and Quantum Physics I (PHY-357) and is affiliated with the Overseas Chinese Physics Association (OCPA). Education: Ph.D., Physics, University of Pittsburgh, 1987. Research interests include developing theoretical frameworks for quantum transport properties and innovative computational tools for materials physics. His group pioneered the NEGF-DFT formalism and the RESCU method, enabling large-scale simulations of nanoscale systems. Publications span topics from nanoelectronics to environmental chemistry and vision science, reflecting interdisciplinary collaboration. Publications highlight advancements in sensor technology, environmental contaminant analysis, and athlete vision testing. While no specific awards are listed, his contributions to computational physics and nanotechnology are notable. Active in teaching and mentoring, he maintains affiliations with academic and professional organizations. Labs/Teams: Research group specializing in quantum transport and materials modeling, with applications in nanoelectronics and environmental analysis.

• Quantum Transport Theory
• Nanoelectronics
• Materials Physics
• +4 more