جست‌وجوی استاد و پژوهشگر

• Corrosion Science
• Interfacial Electrochemistry
• Surface Engineering
• +۷ مورد دیگر

Professor Vijayshankar Dandapani is a faculty member in the Department of Metallurgical Engineering and Materials Science at the Indian Institute of Technology Bombay. His research focuses on interfacial phenomena in materials, particularly in the context of corrosion, coatings, and electrochemical systems. Research Interests: Corrosion and delamination of organic coatings Hydrogen permeation for interfacial reaction kinetics Non-linear frequency response analysis (NFRA) in lithium-ion batteries Nanorough silica coatings and surface engineering Metal-ceramic interfacial stress corrosion cracking Analyzing his recent publications, his work spans electrochemistry, surface science, and nanomaterials, with a strong emphasis on buried interfaces and quantitative characterization techniques. His research integrates experimental electrochemistry with surface modification and materials design for durability and performance. Awards and Honors: No scientific awards listed in the provided text. Advising and Grants: There is no explicit mention of students, advising roles, or funded grants in the provided text. However, given his publication record and faculty position, it is likely he supervises graduate students and participates in research projects. His work appears to involve collaborations with international institutions in Germany and the USA. Laboratories and Research Teams: The text references his personal website ( https://dvijayashankar.wixsite.com/interfaceelectrochem ), which likely hosts details about his research group, ongoing projects, and lab facilities focused on interface electrochemistry and surface engineering.

• Macromolecular and Materials Chemistry
• Materials Engineering
• Interdisciplinary Engineering
• +۳ مورد دیگر

Mohammed Azzouzi is a Research Fellow in the Department of Chemistry at Imperial College London, affiliated with the Faculty of Natural Sciences and the Nelson Group. His research focuses on AI-driven discovery of organic molecules for optoelectronic applications, with a strong emphasis on integrating molecular modeling, computational simulations, and experimental characterizations. He holds an Orcid identifier: 0000-0001-5190-9984. PhD supervised by Prof. Jenny Nelson (2021 Woodruff thesis prize recipient) Specialist in organic solar cells, interfacial states analysis, and atomistic-scale property optimization Affiliations: Artificial Intelligence Network, Materials Chemistry Research bridges quantum physics principles with practical optoelectronic device optimization, particularly exploring connections between atomic arrangements and electronic structures. His work addresses critical gaps in understanding how material properties influence device performance in organic semiconductors. Key contributions include developing tools to analyze interfacial states in solar cells and advancing methodologies for predicting optoelectronic material behavior through multi-scale simulations.

• Bio-sourced Polymers and Composites
• Generating in silico Microstructures
• Numerical Homogenization
• +۳ مورد دیگر

Fabrice DETREZ is an Associate Professor of Engineering Science at University Gustave Eiffel, affiliated with the MSME Lab (Modélisation et Simulation Multi-Echelle). His research focuses on multiscale modeling of polymers and composites, addressing mechanical behavior optimization for sustainable materials. He teaches Materials Science and Engineering Mechanics at both undergraduate and graduate levels. Research Areas: Multiscale modeling, bio-sourced composites, numerical homogenization, atomistic simulations, and structure-property relationships. Key Projects: Includes WAIP (upcycling plastic blends), BIO ART (bio-based epoxy resins), ISCCAP (CO2-based foaming), and BI-STRECH (PET deformation analysis). His recent publications emphasize polymer crystallization mechanics, graphene-polymer nanocomposites, and material sustainability. Collaborations span academia and industry, with a focus on advancing eco-friendly materials through computational and experimental methods.

Yuanyue Liuمشاهده پروفایل

دانشیار

• Advanced Materials Science
• Electronics Materials
• Energy Applications
• +۳ مورد دیگر

Yuanyue Liu is an Associate Professor in the Department of Mechanical Engineering at The University of Texas at Austin, supported by the Cockrell Family Fellowship. He leads the Yuanyue Liu Group, focused on developing atomistic modeling methods to study electronic and energy materials, particularly charge transport, electrochemistry, and 2D materials. His research aims to design and discover advanced materials for electronics and energy applications. Education: B.S., University of Science and Technology of China (2008) Ph.D., Rice University (2014) Postdoctoral Research: National Renewable Energy Laboratory (NREL) and California Institute of Technology Research Interests: Atomistic modeling of 2D semiconductors and electrochemical systems Charge transport mechanisms in nanomaterials Design of high-performance electrocatalysts for energy storage/conversion Labs/Teams: Collaborates with the Texas Materials Institute, integrating computational and experimental approaches to advance materials science. His group develops cutting-edge simulation tools like eTran2D for analyzing electronic properties of 2D materials. Grants & Funding: Secure funding through NSF, DOE, and industry partnerships to support his work on electrochemical systems and nanomaterials.

Felix Höflingمشاهده پروفایل

استاد

• Statistical Physics
• Biological Physics
• Molecular Dynamics
• +۳ مورد دیگر

Prof. Felix Höfling holds a W2 non-tenure professorship for 'High-performance computing in molecular dynamics' at Freie Universität Berlin (since 2015). He leads the Computational Statistical & Biological Physics group within the Department of Mathematics and Computer Science. Prior roles include research associate positions at the Max Planck Institute for Intelligent Systems (2010–2015), postdoctoral research at the University of Oxford (2009), and doctoral work at Ludwig-Maximilians-Universität München (2006, summa cum laude). His research focuses on computational methods in statistical and biological physics, including molecular dynamics simulations, anomalous transport in crowded environments, and high-performance computing. Notable contributions include studies on liquid-vapor interfaces, colloidal dynamics, and the interplay between microscopic and macroscopic transport phenomena. His work integrates theoretical modeling, numerical simulations, and interdisciplinary applications in soft matter and biophysics. Editorial Board Member of Communications Physics (since 2023) Director of the CECAM node 'Mathematics and Computation in Molecular Simulation' (since 2022) Head of the MSc Examination Board for Computational Sciences (since 2019) His research articles explore topics such as surface tension modulation, confined fluids, and active matter systems. Key achievements include a highly cited review on anomalous transport in biological cells (2013) and contributions to the development of the H5MD molecular data format. Awarded 'Distinguished Referee' by the European Physical Journal (2013) Recipient of grants for projects on open systems and parallel computing Prof. Höfling oversees the Computational Statistical & Biological Physics lab, emphasizing collaborative research in computational physics and interdisciplinary applications.

Alan McGaugheyمشاهده پروفایل

استاد

• Mechanical Engineering
• Thermal Transport
• Nanoscale Heat Transfer
• +۱۵ مورد دیگر

Alan McGaughey is a Professor in the Department of Mechanical Engineering at Carnegie Mellon University's College of Engineering. He leads the Nanoscale Transport Phenomena Laboratory, where his research bridges mechanical engineering, materials science, physics, and chemistry to study atomic-level transport of mass, momentum, and energy. His work emphasizes phonon, photon, electron, and fluid particle dynamics using advanced simulation techniques. Bachelor of Engineering, McMaster University (1998) Master of Applied Science, University of Toronto (2000) Ph.D., University of Michigan (2004) Post-doctoral training, University of Florida Alan McGaughey's research interests center on nanoscale thermal transport , with applications in energy technologies , materials for energy efficiency , and multiscale modeling . His lab develops molecular- and meso-scale simulation methods, including molecular dynamics, lattice dynamics, density functional theory, and Boltzmann transport equation modeling. Key research areas include thermal transport in nanostructures and interfaces, hybrid organic-inorganic materials, electrocaloric cooling, and liquid-vapor phase change. The team also applies machine learning to accelerate materials discovery and property prediction. The recent publications (2023–2025) reflect a strong focus on thermal conductivity prediction in diverse systems—from polymers and 2D materials to disordered crystals and thin films. The work integrates first-principles simulations , uncertainty quantification , and machine learning to uncover fundamental mechanisms of phonon transport and interfacial heat transfer. A recurring theme is the role of structural disorder —static, dynamic, or rotational—in modulating thermal properties. Air Force Office of Scientific Research Young Investigator Program (2009) Benjamin Richard Teare Teaching Award (2014) National Academy of Engineering’s Frontiers of Engineering Education Symposium (2015) Professor of the Year by MechE seniors (2012, 2015, 2017) 2019 & 2024 College of Engineering Faculty Awards 2021 Viskanta Fellowship, Purdue University McGaughey has advised numerous Ph.D. and Master’s students, many of whom have gone on to impactful research careers. His group has secured funding from agencies such as the Department of Defense and the Department of Energy, including Scott Institute seed grants for energy research. He collaborates extensively with experimentalists, including Jonathan Malen, Reeja Jayan, Chris Wilmer, and others, ensuring strong theory-experiment integration. He is also involved in educational innovation and was named faculty chair-elect for the College of Engineering. The Nanoscale Transport Phenomena Laboratory is a vibrant research group that combines computational modeling with interdisciplinary collaboration to advance fundamental understanding and enable next-generation thermal materials and devices.

Glenn Beltzمشاهده پروفایل

استاد

• Micro- and Nanoscale Engineering
• Structural Materials and Solid Mechanics
• Thin Film Stress Analysis
• +۴ مورد دیگر

Glenn Beltz is a Professor in the Department of Mechanical Engineering and Associate Dean of Undergraduate Studies at the University of California, Santa Barbara (UCSB). His research focuses on micro- and nanoscale engineering, structural materials, and solid mechanics, with particular emphasis on thin film stress analysis, dislocation dynamics, and fracture mechanics. He holds a faculty position in the Mechanical Engineering department and oversees undergraduate academic affairs. His work bridges continuum mechanics and atomistic modeling to understand material failure mechanisms in metals and ceramics. Contact: beltz@ucsb.edu, Harold Frank Hall Room 1004. Research interests include strain-gradient effects in materials, cohesive zone modeling under mixed-mode loading, and the interplay between dislocation nucleation and cleavage fracture. Recent studies address GaN substrate curvature, III-nitride layer cracking, and fracture behavior in bcc iron at nanoscale. His publications span over two decades, emphasizing experimental and computational approaches to material design and failure analysis. Publications highlight trends in thin film mechanics, ceramic composite strengthening, and strain-engineered semiconductor properties. No awards or grants are explicitly listed in available texts, though his extensive publication record reflects sustained academic contribution.

• Mechanics of Electronic Materials
• Nanotechnology
• Optical Properties of Materials
• +۳ مورد دیگر

Harley T. Johnson is the Executive Director and CEO of the Illinois Quantum and Microelectronics Park and a Founder Professor in the Department of Mechanical Science and Engineering at the University of Illinois Urbana-Champaign. He holds courtesy appointments as Professor of Materials Science and Engineering and affiliates in the Materials Research Lab (MRL) and the National Center for Supercomputing Applications (NCSA). He directs the Illinois NSF Materials Research Science and Engineering Center (I-MRSEC). His academic roles include Associate Dean for Research (2019–2025) and leadership in various research initiatives. Education: Ph.D. Engineering, Brown University (1999) Sc.M. Applied Math, Brown University (1998) B.E.S.M. Engineering Science and Mechanics, Georgia Institute of Technology (1994) Research focuses on mechanics of electronic/photonic materials, nanostructures, and optical properties. Key areas include quantum dots, MEMS stress modeling, and nanophotonics. His work integrates atomistic and continuum models to address multiphysics phenomena in energy, microelectronics, and materials processing. Recent articles emphasize graphene mechanics, twisted bilayer systems, and machine learning-driven design. His publications span journals like Nature Materials , Physical Review B , and Acta Materialia . Themes include defect dynamics, moiré engineering, and strain-driven phenomena. Awards: SES Fellow (2020), ASME Fellow (2012) Xerox Faculty Research Award, UIUC (2011) UIUC Campus Award for Leadership (2020) Teaching includes TAM 451 (Solid Mechanics) and TAM 559 (Atomistic Solid Mechanics). He advises on interdisciplinary initiatives like the NRT-HDR Materials Informatics program. His labs collaborate on projects such as emergency ventilator design for pandemic response and graphene-mediated surface stabilization.

• Computational Materials Science
• Defect Properties
• Mechanical Behavior of Materials
• +۴ مورد دیگر

Dallas R. Trinkle is an Ivan Racheff Professor and Associate Head of the Department of Materials Science and Engineering at the University of Illinois, Urbana-Champaign. He holds a Ph.D. in Physics from Ohio State University (2003) and joined UIUC's faculty in 2006 after postdoctoral research at the Air Force Research Laboratory. His research focuses on computational methods to study defects in materials at the atomic scale, including density-functional theory and machine learning applications in diffusion and mechanical behavior. Education : Ph.D. in Physics, Ohio State University, 2003 Postdoctoral Researcher, National Research Council (Air Force Research Laboratory), 2003–2006 Research Interests : Trinkle’s work centers on defects in materials, including dislocations, point defects, and interfaces, with applications to structural metals like magnesium, titanium, and palladium. Key areas include: Computational materials science using atomistic methods (DFT, tight-binding) Mechanical behavior of alloys and phase transformations Mass transport mechanisms, including diffusion of interstitials and solutes Machine learning for materials discovery and predictive modeling Awards : TMS Young Leader International Scholar (2008) NSF CAREER Award (2009) Xerox Award for Faculty Research (2011) TMS Brimacombe Medal (2019) Advising & Grants : Trinkle mentors graduate and postdoctoral researchers in computational materials science. His research is supported by NSF, Boeing, and the Department of Energy. He has developed educational modules integrating computation into undergraduate curricula, emphasizing digital materials and atomic-scale simulations. Labs & Groups : His research group maintains a Trinkle Group page with resources on computational tools (e.g., Mg solute database on GitHub) and ongoing projects.

Taras V Pogorelovمشاهده پروفایل

استادیار مهمان

• Physical Chemistry of Complex Cellular Environments
• Molecular Biology
• Cell Signaling
• +۶ مورد دیگر

Taras V Pogorelov serves as Visiting Assistant Professor at the National Center for Supercomputing Applications (NCSA) and Research Assistant Professor at the School of Chemical Sciences at the University of Illinois at Urbana-Champaign, where he leads scientific computing initiatives. His academic journey includes: Diploma in Biomedical Engineering from Bauman Moscow State Technical University (1995) M.S. in Mathematics from University of Illinois at Urbana-Champaign (1996) Ph.D. in Chemical Physics from University of Illinois at Urbana-Champaign (2006) Dr. Pogorelov's research program integrates physics, chemistry, biology, and computer science to address fundamental questions in molecular biology and the physical chemistry of cell signaling in health and disease. His team develops innovative computational methods by combining molecular dynamics, quantum chemistry, and molecular evolution frameworks with multi-resolution experimental data. Current research focuses on cell signaling mechanisms, protein dynamics in complex environments, and functional lipids in membrane-associated phenomena. His recent publications (2024-2025) demonstrate strong emphasis on protein folding dynamics, enzyme organization in cytoplasmic environments, and membrane interactions of bioactive molecules, with applications spanning antimicrobial development to climate change research. Dr. Pogorelov's scholarly contributions have been recognized with: Faculty Fellow at NCSA (2014) Illinois Research Board Award (2012) RSOCR Award (2016) Scialog Fellowship (2018) His work has garnered significant academic and public attention, with research featured in 8 news outlets, referenced in 2 Wikipedia pages, shared across social media by numerous X users, and accessed by researchers worldwide through academic platforms. Leading a multidisciplinary research group, Dr. Pogorelov continues to advance computational approaches to understanding complex biological systems with implications for health, disease mechanisms, and environmental science.

Qilei Songمشاهده پروفایل

دانشیار

• Chemical Engineering
• Materials Engineering
• Membrane Separation Technologies
• +۶ مورد دیگر

Dr Qilei Song is an Associate Professor in Chemical Engineering and a principal investigator at the Barrer Centre, Imperial College London. He leads the Functional Membranes and Energy Materials Group, focusing on porous materials and membrane technologies for molecular separations, catalysis, and energy systems. Affiliated with Grantham Institute and Institute for Molecular Science and Engineering Co-investigator in £9M EPSRC Programme Grant SynHiSel ERC Starting Grant recipient for membrane development in grid-scale energy storage His research spans CO2 capture , hydrogen production , ion exchange membranes , and advanced battery materials . Key projects include redox flow batteries, fuel cells, and water purification systems. The group maintains strong collaborations with industrial partners like BP-ICAM, Shell, Toyota Motor Europe, and Schlumberger. Notable scientific achievements include the IChemE Nicklin Medal and ERC Starting Grant . The group's publications emphasize ion transport mechanisms, microporous polymers, and electrochemical device optimization. Advising PhD students Charlotte Breakwell, Yijie Yang, Naiqi Meng, and others Alumni include Dr Anqi Wang (now KAUST), Dr Rui Tan (Swansea University), and Dr Zhiyu Fan (clean tech startup) The lab houses argon-filled glovebox systems for battery assembly and testing, supporting projects in lithium-ion batteries and redox flow batteries under inert conditions.

• Density Functional Theory
• Electronic Friction
• Energy Dissipation & Conversion
• +۵ مورد دیگر

Jörg Meyer is an Associate Professor at the Leiden Institute of Chemistry (LIC), Leiden University, The Netherlands, since 2020. His research focuses on energy dissipation at the atomic scale , particularly in chemical reactions on surfaces, leveraging computational modeling techniques from quantum mechanics to force-field levels. Education : PhD in Physics (2012, summa cum laude) and Diploma in Physics (2006, with distinction) from German institutions. Teaching : Co-organizer of workshops and courses on Density Functional Theory and Machine Learning in Computational Chemistry. His work has significant implications for heterogeneous catalysis, electrocatalysis, and astrochemistry , with a publication record of 51 papers and an H-index of 21. Recent projects funded by TKI-HTSM PPP grants (2020–2022) and recognized by the Teacher of the Year Award (2020). Supervised 11 PhD students and 8 postdoctoral fellows since 2015. Scientific Awards : NWO-CW Vidi Grant (2015) Young Investigator Competition Wins at Gordon Research Conferences (2011, 2013) DAAD Travel Grants (2011, 2013) Research Trends : His recent articles highlight applications of Density Functional Theory , Electronic Friction Models , and Vibrational Dynamics in systems like H2/Cu(111), N2/Ru(0001), and CO/Rh(100). Collaborative efforts span institutions in Germany, Austria, and the Netherlands.

Rachael A Mansbachمشاهده پروفایل

استادیار

• Computational Biophysics
• Statistical Physics
• Deep Learning
• +۵ مورد دیگر

Dr. Rachael Mansbach is an Assistant Professor in the Department of Physics at Concordia University, Montreal, and holds a Tier II Canada Research Chair in Computational Biophysics. She specializes in interdisciplinary research combining computational biophysics, machine learning, and molecular dynamics to address challenges in antimicrobial resistance and therapeutic design. Research Highlights: Developing interpretable machine learning models for antimicrobial peptide design Investigating structural ensembles of disulfide-rich toxins via computational modeling Multi-scale modeling of mucin-like proteins for biomimetic material design Applying network theory to analyze SARS-CoV-2 Spike protein dynamics and deep learning architectures Quantum and molecular dynamics simulations of photosynthetic proteins Collaborations: Partnered with the Chakraborty Lab (Northeastern), Zazubovits Lab (Concordia), and Gauthier Lab (Concordia) on hydrogel design, photosynthesis, and long COVID imaging applications. Scientific Awards: Computational Science and Engineering Fellow (UIUC) Building Future Faculty Fellow (NCSU) Mavis Future Faculty Fellow (UIUC) APS Forum on Graduate Student Affairs Travel Award UIUC Physics Graduate Travel Award

Heather J. Kulikمشاهده پروفایل

استاد

• Electronic Structure
• Density Functional Theory
• Machine Learning
• +۴ مورد دیگر

Heather J. Kulik is a Full Professor in the Departments of Chemical Engineering and Chemistry at the Massachusetts Institute of Technology (MIT). She received her B.E. from Cooper Union (2004) and Ph.D. from MIT (2009), followed by postdoctoral training at Lawrence Livermore and Stanford. Her research focuses on computational workflows and machine learning for materials discovery, particularly in catalysis and enzyme modeling. Research interests include Electronic structure and density functional theory Machine learning in chemical discovery Transition metal chemistry and catalysis Computational modeling of functional materials Recent publications emphasize Machine learning-driven catalyst optimization Stable metal-organic frameworks (MOFs) Electronic structure of transition metal complexes Enzyme mechanistic modeling Energy materials design Quantum chemistry applications Scientific awards include the NSF CAREER Award (2019), Sloan Research Fellowship (2021), and AIChE CoMSEF Impact Award (2023).

Clotilde Cucinottaمشاهده پروفایل

پژوهشگر ارشد

• Computational Chemistry
• Theoretical Chemistry
• Surface Science
• +۵ مورد دیگر

Dr. Clotilde Cucinotta is an EPSRC Fellow in the Department of Chemistry at Imperial College London, where she has led independent research since 2018. Her work focuses on computational modeling of solid-liquid interfaces, electron transport phenomena, and energy conversion systems using advanced molecular dynamics and first-principles methods. Her educational background includes: Master's in Condensed Matter Physics, University of Messina (Italy) PhD from University of Modena and INFM-CNR-S3 excellence centre (Italy) Dr. Cucinotta's research integrates computational chemistry and materials science to investigate interfacial processes critical for energy technologies. She specializes in modeling electrified interfaces under operational conditions, with emphasis on platinum-water systems, 2D material reactivity, and electrochemical energy conversion. Her methodologies bridge quantum mechanical simulations with macroscopic electrochemical behavior, enabling predictive design of catalysts and energy storage materials. Current projects address CO 2 conversion, battery electrode interfaces, and corrosion mechanisms through atomistic simulations. Analysis of her 2021-2025 publications reveals consistent focus on solid-liquid electrochemical interfaces, particularly platinum-water systems under bias. Her work demonstrates methodological innovation in simulating potential-controlled interfaces while advancing fundamental understanding of capacitive response, wettability, and reaction mechanisms. Key thematic areas include electrocatalysis for sustainable fuels, nanoscale battery materials, and computational tools for realistic interface modeling. Scientific recognition includes: Prestigious EPSRC Fellowship supporting her independent research program Funded by her EPSRC Fellowship, Dr. Cucinotta leads a computational research group developing novel simulation frameworks for electrochemical interfaces. She mentors early-career researchers in computational chemistry and maintains collaborations with experimental groups at Trinity College Dublin and ETH Zurich. Her grant portfolio centers on fundamental interface science with applications in energy conversion and storage. Her research is conducted within Imperial College London's Department of Chemistry, utilizing high-performance computing infrastructure for large-scale molecular dynamics and quantum simulations. The computational laboratory focuses on developing open-boundary methods for realistic electrochemical interface modeling under operational conditions.