جست‌وجوی استاد و پژوهشگر

Yunfeng Shiمشاهده پروفایل

استاد

• Materials Science
• Nanomaterials
• Energy
• +۷ مورد دیگر

Dr. Yunfeng Shi is a Professor of Materials Science and Engineering at Rensselaer Polytechnic Institute (RPI). He holds a Ph.D. from the University of Michigan (2006) and completed postdoctoral research at North Carolina State University. His research focuses on computational modeling of material behaviors, including metallic glasses, polymers, and nanomaterials, with applications in energy, nanotechnology, and structural materials. Notably, he was recognized as an inaugural Gordon S. Fulcher Distinguished Researcher by Corning Inc. in 2015. Dr. Shi's research interests encompass: Fracture mechanics and deformation mechanisms in amorphous solids Self-assembly of biomimetic polymers Nanostructured carbon and graphene-based composites Computational design of materials for energy and thermal applications Interface engineering in van der Waals materials His recent publications highlight advancements in atomic-scale material characterization, including cooling-free infrared detection via epitaxial membranes and enhanced fracture toughness in graphene-epoxy nanocomposites. He is affiliated with RPI's Center for Materials, Devices, and Integrated Systems (CMDIS), leveraging interdisciplinary collaboration for cutting-edge research. Scientific awards include the Gordon S. Fulcher Distinguished Researcher Award (2015). His work spans experimental and theoretical methods, with a focus on bridging atomistic simulations and macroscopic material behavior.

Sophia Haussenerمشاهده پروفایل

دانشیار

• Renewable Energy
• Solar Energy Conversion
• Electrochemistry
• +۴ مورد دیگر

Sophia Haussener is an Associate Professor at the Laboratory of Renewable Energy Science and Engineering (LRESE) within the School of Engineering at École polytechnique fédérale de Lausanne (EPFL). She contributes to research in Renewable Energy , Electrochemistry , and Materials Science , with a focus on solar energy conversion and CO2 reduction technologies. Her leadership extends to academic committees such as the Commission des prix de la recherche and Academic Strategy Committee . Her research group explores Multiphysics Modeling , CO2 Electrolysis , and Photoelectrochemical Systems , emphasizing scalability and industrial integration. Recent publications highlight advancements in Gas Diffusion Electrodes , Photostability , and Membrane Engineering , reflecting her interdisciplinary approach to renewable energy solutions. Scientific Awards Yellott Award (2024): ASME Solar Energy Division Cell Press’s 50 Scientists that Inspire (2024) Raymond Viskanta Award (2019): Elsevier & Journal of Quantitative Spectroscopy ABB Forschungspreis (2012) ETH Medal (2011) Dimitris N. Chorafas Prize (2011) PhD Students Agarwal Venu Gopal Delgado Díaz William Orlando Lorenzutti Francesca Mora-Monteros Jérémy Raphaël van Rooij Sarah and 21 others Article Trends Focus on CO2 Electrolysis , Photoelectrochemical Systems , and Multiphysics Modeling Key themes: Gas Diffusion , Membrane Technology , Photostability , and Industrial Integration

Yan Alexander Wangمشاهده پروفایل

دانشیار

• Quantum Chemistry
• Density-Functional Theory
• Computational Chemistry
• +۸ مورد دیگر

Dr. Yan Alexander Wang is an Associate Professor at the Department of Chemistry , Faculty of Science, University of British Columbia (UBC). His research focuses on Quantum Chemistry , Density-Functional Theory , and Computational Chemistry , with applications in Materials Science , NanoSystems , and Enzymology . B.Sc., Jilin University (1991) Ph.D., Indiana University at Bloomington (1995) Postdoctoral Fellow, University of North Carolina at Chapel Hill (1995-1997) and University of California at Los Angeles (1997-2001) His work emphasizes linear-scaling first-principles methods to study complex systems like biological processes and nanomaterials. Key themes include orbital-free density functionals , embedding formalisms , and computational nanoscience . He has developed methodologies for efficient self-consistent field convergence and adsorption dynamics on nanotubes. Dr. Wang has received prestigious awards, including the Wiley-IJQC Young Investigator Award (2007) and Peter Wall Early Career UBC Scholar Award (2003). He has held editorial roles in journals like Recent Advances in Orbital-Free Density Functional Theory and served as Chair for major conferences including ISTCP-VI (2008). His research group ( WOLFgang ) trains students in physics, chemistry, mathematics, and biophysics , with applications in catalysis , nanoelectronics , and materials science .

Alex Whiteمشاهده پروفایل

مدرس ارشد

• Thermofluids
• Two-Phase Flow
• Thermodynamics
• +۶ مورد دیگر

Dr. Alex White is a Senior Lecturer in Thermofluids at the Department of Engineering, Cambridge University, and a Fellow and Director of Studies at Peterhouse. He earned his undergraduate and PhD degrees from King's College, Cambridge, and conducted postdoctoral research in Cambridge, Lyon, and Toulouse before returning to Cambridge in 2000 as part of the Energy Group. His research focuses on two-phase flow (vapour-droplet flows), thermodynamics of power generation, Computational Fluid Dynamics (CFD), and heat pumps. His work includes theoretical and numerical studies on warm dense matter, electron transport, and energy storage systems like pumped thermal and compressed air storage. Recent publications emphasize warm dense matter physics, inertial confinement fusion, and thermal energy storage innovations. His theoretical analyses and simulations span high-energy-density plasmas, nonlocal electron stopping power, and hybrid energy systems. While no scientific awards are documented, his contributions to thermofluids and extreme condition physics are significant.

Toma Susiمشاهده پروفایل

دانشیار

• Atomic Precision Materials Engineering
• Electron Microscopy
• Defect Engineering
• +۳ مورد دیگر

Toma Susi is an Associate Professor at the University of Vienna's Faculty of Physics, leading the Physics of Nanostructured Materials group. With a doctorate from Aalto University (2011) and a FWF Lise Meitner fellowship (2013-2015), they now focus on atomic-scale materials engineering through electron microscopy and computational modeling. PhD in Materials Science (2011, Aalto University) FWF Lise Meitner Fellow (2013-2015, University of Vienna) ERC Starting Grant recipient (2017) for atomic precision materials engineering Research spans: electron beam manipulation of 2D materials, defect engineering for novel properties, and multislice simulations in microscopy. Collaborative projects include ATMEN (Atomic Precision Materials Engineering) and open science initiatives. Key article trends: Electron microscopy for atomic-scale characterization 2D materials (graphene, MoS2, hBN) under irradiation Computational methods for STEM/TEM simulations Open science tools (abTEM, GPAW) Scientific awards: ERC Starting Grant (2017) FWF Lise Meitner Fellowship Current projects: Time-dependent neutralization of highly charged ions Positronium interferometry ATMEN (Atomic Precision Materials Engineering)

Matthias Schefflerمشاهده پروفایل

استاد

• Kinetic Monte Carlo simulation
• ab initio DFT
• electronic structure theory
• +۵ مورد دیگر

Prof. Dr. Matthias Scheffler is the Director of the Theory Department at the Fritz-Haber-Institut der Max-Planck-Gesellschaft. His research focuses on predictive multiscale modeling in catalysis and energy conversion, integrating electronic structure theory, kinetic Monte Carlo simulations, and machine learning. He leads a diverse team (25+ nationalities) exploring processes in catalysts and energy devices. Research Interests: Computationally modeling materials properties, electrochemical interfaces, and energy conversion. Specializes in density-functional theory (DFT), ab initio methods, and data science for accelerating materials discovery. Current projects include understanding electron spillover effects in electrocatalysis and developing self-driving labs for catalysis research. Recent Highlights: Pioneered the Automatic Process Explorer (APE) for atomic dynamics analysis, revealed quantum mechanical electron spillover in water interfaces, and secured funding renewal for the e-conversion Cluster of Excellence. Collaborates with institutions like TU Berlin, FZ Jülich, and Brown University. Labs/Teams: Heads the Theory Department with subgroups like Light-Matter Interactions (Dr. Matthias Kick) and Machine Learning Interatomic Potentials (Dr. Hendrik Heenen). Hosts retreats and international collaborations, including EU-funded projects and Humboldt Professorships.

Oğuz Gülserenمشاهده پروفایل

استاد

• Theoretical Solid State Physics
• Nanoscience
• Metal Nanowires
• +۷ مورد دیگر

Oğuz Gülseren is a Professor at the Department of Physics, Bilkent University. His research spans Theoretical Solid State Physics , Nanoscience , and Electronic Structure of Materials , focusing on computational studies of metal nanowires , carbon nanotubes , and first-principles calculations . He leads the Computational Nanoscience and Materials Research Group, offering PhD and postdoctoral positions. University: Bilkent University Department: Physics Contact: gulseren@fen.bilkent.edu.tr His research interests include plasmonics , dye-sensitized solar cells , and graphene , with significant work on vibrational properties , quantum structures , and nanoenergetic materials . Publications highlight ab initio and DFT methods applied to 2D heterostructures , self-assembly , and nano-biosensors . Recent articles emphasize data-driven inverse design , phonon resonance , and nanocarbon applications in energy and biotechnology. His group’s work integrates computational nanoscience with experimental validation , addressing challenges in thermal conductivity , optoelectronics , and chemical reactivity at the nanoscale.

Mohamed Achehbouneمشاهده پروفایل

پژوهشگر

• Materials Science
• Nanotechnology
• Optoelectronics
• +۳ مورد دیگر

Mohamed Achehboune is a Researcher in the Department of Physics at the University of Namur, specializing in materials science and nanotechnology. His work focuses on the synthesis, characterization, and theoretical modeling of advanced materials such as graphene, boron nitride, zinc oxide (ZnO), and their nanocomposites. Key research areas include nanomaterials growth mechanisms, optoelectronic properties, and computational methods like density functional theory (DFT). He has contributed significantly to understanding the structural, electronic, and optical properties of 2D materials and their applications in photodetectors, solar cells, and photocatalytic systems. His research integrates experimental techniques (e.g., chemical vapor deposition, molecular beam epitaxy) with computational modeling. Collaborations include studies on heterostructure interfaces, doping effects in semiconductors, and the design of novel nanohybrid systems. Notable contributions involve optimizing boron nitride growth on germanium substrates and investigating the electronic properties of SrTiO3 and BaTiO3 phases under Hubbard U corrections. Achehboune’s publications span over a decade, with a focus on thin films, nanorods, and nanocomposites. His work bridges fundamental material science with applied technologies, addressing challenges in energy and environmental applications.

Konstantinos Alexopoulosمشاهده پروفایل

عضو هیئت علمی

• Catalysis
• Materials Science
• Reaction Engineering
• +۷ مورد دیگر

Konstantinos Alexopoulos is an Assistant Research Professor in the Department of Chemical Engineering at Pennsylvania State University, with a dual affiliation to the ALICE experiment at CERN. He leads research in heterogeneous catalysis, focusing on single-atom catalysts, reaction mechanisms, and materials design. His work bridges computational modeling (microkinetic simulations, DFT calculations) with experimental catalysis for energy conversion and chemical synthesis. Key affiliations include the Materials Research Institute and the Institute for CyberScience at Penn State. Notable contributions include developing programmable thermochemical synthesis protocols and advancing understanding of Cu³⁺ oxidation states in alkaline systems. His 2022 Nature paper introduced programmable heating/quenching strategies for efficient synthesis, while 2024 publications address Ni-CeO₂ catalyst stability and zeolite-catalyzed beta-scission reactions. He collaborates extensively with the ALICE collaboration on detector systems, contributing to the O₂ data acquisition framework for LHC Run 3. Research emphases span: (1) Single-atom catalyst stability mechanisms (2) Zeolite-catalyzed hydrocarbon transformations (3) Methane-to-ethylene conversion (4) ALICE detector control systems. Current projects involve DOE-funded work on plastic waste conversion technologies and NSF-supported catalysis studies. His lab employs Density Functional Theory (DFT), microkinetic modeling, and in-situ spectroscopy to study reaction networks. Recent work highlights include identifying hydride-mediated C-H bond activation on TiO₂ and optimizing ALD-coated catalysts for methane reforming.

Cristiana Di Valentinمشاهده پروفایل

استاد

• Nanomedicine
• Photocatalysis
• Graphene Materials
• +۳ مورد دیگر

Prof. Cristiana Di Valentin is a Full Professor of General and Inorganic Chemistry at the Department of Materials Science , University of Milano Bicocca, and serves as Group Leader at NanoQlab and the Centro di Nanomedicina . Her research focuses on nanomedicine, photocatalysis, and computational chemistry, with notable contributions to graphene-based materials and surface reactivity. She leads major grants, including an ERC Consolidator Grant (2016-2021) and Cariplo Foundation projects. Education: She holds a B.S. and M.S. in Chemistry from the University of Pavia (1997, 110/110 cum laude), a Ph.D. in Chemistry from the University of Pavia & TU Munich (2000), and an IUSS Graduate Diploma (2000). Research Interests: Her work integrates theoretical and computational methods to study nanomaterials for energy, catalysis, and biomedical applications. Key themes include functionalized TiO₂ surfaces, graphene interfaces, and nanoparticle-biomolecule interactions. Recent studies explore photocatalytic oxidation pathways, ligand-mediated targeting, and stealth nanodiamond design. Publications: Over 147 peer-reviewed articles (Scopus H-index 46), with recent work emphasizing graphene-Pc heterostructures for gas sensing, Pd-cyclometalated catalysts, and molecular dynamics simulations of drug-nanoparticle interactions. Awards: Nasini Medal (Italian Chemical Society, 2011) , ERC Consolidator Grant, and prizes for student research mentorship (IUSS, 1998-2000). Grants & Labs: PI of the Smart bioinorganic hybrids for nanomedicine (ERC) and Beyond graphene (Futuro in Ricerca). Active in collaborations for computational modeling (CINECA grants) and experimental validation of nanodevices.

Bernd Meyerمشاهده پروفایل

استاد

• Computational Chemistry
• Materials Science
• Surface Chemistry
• +۶ مورد دیگر

Prof. Dr. Bernd Meyer is a Professor of Computational Chemistry at the Department of Chemistry and Pharmacy, Friedrich-Alexander University Erlangen-Nuremberg. His research bridges theoretical and experimental approaches to investigate nanomaterials, surface chemistry, and molecular dynamics. Computational Chemistry Materials Science Surface Stability Molecular Dynamics Nanomaterials Photovoltaics Organic-Inorganic Hybrids Recent publications focus on adsorption mechanisms of molecules on metal oxides, design of porphyrin-based hybrids with tunable optoelectronic properties, and algorithm optimizations for ab initio molecular dynamics. His work integrates first-principles simulations with experimental validation to address challenges in energy materials and surface engineering. Contact: bernd.meyer@fau.de | Room 2.308, Nägelsbachstraße 25, Erlangen | Phone: +49 9131 85-20403

Diana Qiuمشاهده پروفایل

استادیار

• Materials Science
• Condensed Matter Physics
• Quantum Materials
• +۱۲ مورد دیگر

Diana Qiu is an Assistant Professor in the Department of Materials Science and the Applied Physics program at Yale University's School of Engineering & Applied Science. Her research focuses on quantum materials, computational methods, and light-matter interactions, with applications in optoelectronics, quantum information, and energy technologies. Research Interests: Dr. Qiu's work centers on understanding and controlling quantum excitations in materials through first-principles calculations. Her group develops and applies quantum many-body theories to predict electronic, optical, and excitonic properties of novel materials. Key areas include 2D materials, hybrid perovskites, topological systems, and defect engineering. She investigates how light interacts with electrons in solids, particularly focusing on exciton dynamics, ultrafast responses, and nonlinear phenomena. Her recent publications reveal a strong emphasis on exciton physics, dielectric screening, and many-body effects across diverse material platforms. Using high-performance computing, her group bridges theoretical models with real material behavior, enabling predictive design of tunable and transient quantum materials. Honors and Awards: Presidential Early Career Award for Scientists and Engineers (PECASE), 2025 NSF CAREER Award, 2023 Packard Fellowship for Science and Engineering, 2021 DOE Early Career Award, 2021 Rising Stars in Physics, 2018 Jackson C. Koo Award in Condensed Matter Physics, 2017 Advising and Grants: As a principal investigator, Dr. Qiu leads the Qiu Group and mentors graduate students and postdoctoral researchers in computational materials science. She has secured major funding through the NSF, DOE, and Packard Foundation, supporting her research in quantum materials and exciton engineering. Her group collaborates with experimentalists to validate theoretical predictions and guide material synthesis. Labs and Research Teams: The Qiu Group is based at the Energy Sciences Institute in West Haven, CT, and operates within Yale’s robust infrastructure for computational and materials research. The team leverages high-performance computing resources to perform large-scale simulations of quantum materials.

Sebastian Maerklمشاهده پروفایل

دانشیار

• Microfluidics
• Cell-Free Synthetic Biology
• Transcription Factor Biophysics
• +۴ مورد دیگر

Sebastian Maerkl is an Associate Professor at École Polytechnique Fédérale de Lausanne (EPFL) in the Laboratory of Biological Network Characterization , part of the School of Engineering (STI) and the Institute of Bioengineering (IBI-STI). He holds a joint appointment in the EDBB-GE PhD Program Committee and leads the SEL-ENS teaching initiative. His academic journey began with dual B.Sc. degrees in Biology and Chemistry from Fairleigh-Dickinson University (2001) before earning a Ph.D. in Biochemistry and Molecular Biophysics from Caltech (2008). Prof. Maerkl's research lies at the intersection of microfluidics , cell-free synthetic biology , transcription factor biophysics , and molecular diagnostics . His lab has pioneered microfluidic platforms for high-throughput characterization of gene regulatory networks, protein-DNA interactions, and cellular processes. Recent work focuses on artificial cell systems using the PURE cell-free translation system, self-regenerating protein networks, and sustainable biomolecular material design via circular economy principles. His 15 most recent articles (2022-2025) reveal consistent innovation in microfluidic reactor design for cell-free systems, with 2025 studies on tRNA synthesis and protein-ligand deep learning tools. He has secured major funding including an ERC Consolidator Grant (2016) and multiple Swiss National Science Foundation grants, supporting work that has yielded over 50 peer-reviewed publications and 6 patents. Honors : 2005: Innovator’s Challenge – 1st Place (Caltech/Stanford/Berkeley) 2008: Demetriades-Tsafka-Kokalis Prize – Best Caltech PhD Thesis in Biotechnology 2012: Prix SSV – Ambition – EPFL Teaching Excellence Award 2016: ERC Consolidator Grant (€2M+) 2019: iGEM Grand Prize Winner (Overgrad Category) – First Swiss Team Victory As founder and advisor of the EPFL iGEM team (2008-2020), he mentored teams that won 8 Gold, 2 Silver, and 1 Bronze medals. His lab hosted international fellows including one Fulbright Scholar and two Whitaker Fellows, while developing microfluidic devices for applications ranging from cancer diagnostics to SARS-CoV-2 antibody detection.

Xavier Rocquefelteمشاهده پروفایل

استاد

• Materials Science
• Condensed Matter Physics
• Crystallography
• +۴ مورد دیگر

Xavier Rocquefelte is a Professor at ISCR (Institut des Sciences Chimiques de Rennes) within the University of Rennes 1, which is affiliated with CNRS (Centre National de la Recherche Scientifique). His office is located at Campus de Beaulieu, Building 10B - Room 212, 263 avenue du Général Leclerc, Rennes, France. He maintains an active research profile with numerous publications in advanced materials science and condensed matter physics. Professor Rocquefelte's research spans multiple domains within materials science, with particular emphasis on magnetic materials, crystallography, and computational approaches to understanding material properties. His work frequently intersects with condensed matter physics, particularly in the study of antiferromagnetism, multiferroics, and topological materials. He has made significant contributions to the understanding of defect engineering in perovskites and other complex oxide materials, as well as the development of novel synthesis methods for functional materials. His research also extends to optical materials, particularly those exhibiting mechanoluminescent properties, and to the computational modeling of material behaviors under various conditions. Analysis of his recent publications reveals a strong focus on the intersection of magnetism and material structure, with increasing attention to quantum materials and topological phenomena. His work demonstrates expertise in both experimental synthesis techniques and advanced computational methods, allowing for comprehensive characterization of material properties. The research portfolio shows consistent productivity across multiple subfields, with particular emphasis on the relationship between crystal structure, defects, and functional properties in advanced materials. Professor Rocquefelte maintains an active research program with collaborations across multiple institutions, as evidenced by his extensive publication record in high-impact journals. His work contributes significantly to the understanding of fundamental material properties while maintaining relevance to potential applications in energy storage, electronics, and optical technologies.

Alex Maldonadoمشاهده پروفایل

عضو هیئت علمی

• Computational Chemistry
• Catalysis
• Molecular Dynamics
• +۵ مورد دیگر

Alex Maldonado is a Teaching Assistant Professor at the University of Pittsburgh, specializing in computational chemistry and its applications in catalysis and drug discovery. Their research bridges theoretical modeling with practical chemical innovation. Key research interests include: Quantum and classical molecular dynamics simulations Solvation modeling for reaction mechanisms Machine learning force fields Quantum alchemy in chemical bonding Computationally guided catalyst discovery Molecular docking tools (MolModa) for drug development Recent work focuses on uncertainty quantification in solvation procedures and their implications for aqueous phase reactions and renewable chemical production.