جست‌وجوی استاد و پژوهشگر

Jan Janssenمشاهده پروفایل

پژوهشگر

• Materials Informatics
• Computational Materials Science
• Machine Learning
• +۳ مورد دیگر

Jan Janssen is the Group Leader for Materials Informatics at the Max-Planck Institute for Sustainable Materials, leading research in applying computational and machine learning methods to materials discovery. He previously served as a Director's Postdoctoral Fellow at Los Alamos National Laboratory and earned his PhD from the MPIE Düsseldorf. His work focuses on ab-initio thermodynamics, machine-learned interatomic potentials, and high-performance computing workflows. Education: PhD in Physics, Max Planck Institute for Iron Research (MPIE), Düsseldorf (2015–2021) MSc/BSc in Physics, Technical University of Kaiserslautern (2008–2015) Research Interests: Janssen’s research integrates computational materials science with machine learning, emphasizing automated workflows, open-source software (e.g., pyiron), and Bayesian optimization for materials discovery. His team develops tools like Executorlib for scaling Python workflows on HPC systems and leverages LLMs for scientific automation. Contributions: Lead developer of pyiron, an open-source computational materials science framework Maintainer of conda-forge packages for materials informatics Contributor to projects like FitSNAP and LangSim Labs/Teams: He leads the Materials Informatics group, advancing methods for high-throughput materials exploration and AI-driven scientific workflows.

• Materials Science
• Computational Materials Design
• High Entropy Alloys
• +۴ مورد دیگر

Dr. Fritz Körmann is a Senior Research Scientist at the University of Stuttgart and a Guest Researcher at ICAMS, Ruhr-University Bochum. He currently leads the Project Group 'Complex Concentrated Alloys' at the Max Planck Institute for Sustainable Materials. His research focuses on computational materials design, with expertise in machine learning interatomic potentials, density functional theory, and magnetism. Key areas include high entropy alloys, steels, and materials for magnetic applications. Education: PhD in Physics, MPIE Düsseldorf (2007–2011) Master's in Physics, Humboldt University Berlin (2004–2007) Bachelor's in Physics, RWTH Aachen (2001–2004) Research interests span computational modeling of alloy phase stability, mechanical properties, and magnetic behavior. He has pioneered methods combining machine learning with ab initio calculations to accelerate material discovery. Recent work highlights include designing ultrastrong ductile medium-entropy alloys and exploring hydrogen accommodation in complex alloys. His articles emphasize machine learning applications in materials science, phase transition modeling, and structural properties of complex alloys. Collaborations include institutions like UCLA, TU Delft, and BAM Berlin. He leads projects funded by DFG and EU grants, focusing on computational tools for advanced alloy development. His group develops novel high-entropy alloys with tailored mechanical and magnetic properties, bridging theory and experimental validation. Dr. Körmann's work is supported by grants enabling advanced computational infrastructure and experimental collaborations. He contributes to labs focused on atomistic simulations and has pioneered automated approaches for calculating material melting points. Professional networks include active roles in the MPIE Alumni Network and academic partnerships across Europe and the US.

• Electrochemistry
• Corrosion Science
• Materials Science
• +۳ مورد دیگر

Dr. Mira Todorova is the Head of the Electrochemistry and Corrosion Group at the Max Planck Institute for Sustainable Materials since 2015. Her research focuses on electrochemical systems , corrosion mechanisms , and ab initio-based multi-scale modeling . She investigates fundamental processes at solid/liquid interfaces using computational methods like density functional theory (DFT) and molecular dynamics simulations. Her academic career includes roles as a Project Leader at the Max-Planck-Institut für Eisenforschung (2006–2015), a postdoctoral researcher at the University of Sydney (2004–2006), and a research assistant at the Fritz-Haber-Institute (2000–2004). She earned her Ph.D. in Physics from Technical University Berlin (2004) and a Diplom in Physics from Technical University Darmstadt (2000). Key research areas include charged point defects , ion behavior in water , and defect phase diagrams . Her work bridges semiconductor defect chemistry with electrochemical systems, emphasizing ab initio thermodynamics and realistic interface modeling. Recent studies address magnesium corrosion mechanisms, hydrogen evolution reactions, and cryo-atom probe tomography for in situ analysis. Notable contributions include developing atomic cluster expansion potentials for iron oxides and advancing first-principles approaches to model electrochemical reactions under applied voltages. She explores challenges in machine learning potentials for solid-liquid interfaces and the role of water in electrified environments. Todorova’s research has led to over 100 peer-reviewed articles, with a focus on predictive modeling of material degradation and design. Her group collaborates on projects like pyiron , an integrated computational materials science environment.

• Materials Science
• Alloy Design
• Metallurgy
• +۳ مورد دیگر

Laura Gabriela Torres Mejia is a Researcher at the Max Planck Institute for Sustainable Materials, affiliated with the Department of Microstructure Physics and Alloy Design. Her work focuses on the development and characterization of advanced materials, particularly high-entropy alloys and multi-component systems. She holds a position within the institute’s active research members, contributing to cutting-edge studies in materials science and metallurgy. Her research interests span the fields of materials science and metallurgy, with a focus on alloy design, magnetic properties of materials, and the computational analysis of structural and thermodynamic properties. She investigates the effects of deformation, doping, and composition on material behavior, employing both experimental and theoretical approaches. Key areas include the study of stacking fault energy in multi-principal element alloys and the design of novel alloys using ab initio calculations. Recent publications highlight her contributions to understanding deformation-induced magnetic property changes in high-entropy alloys and the role of boron doping in multi-component systems. These studies bridge experimental and computational methods to advance material performance predictions. No scientific awards have been listed in the provided information. No advising or grant information is available in the provided content. She is part of the Department of Microstructure Physics and Alloy Design at the Max Planck Institute for Sustainable Materials, contributing to collaborative research projects within the institute’s broader network.

Tomás Ariasمشاهده پروفایل

استاد

• Quantum Mechanics
• Materials Science
• Nanoscale Systems
• +۵ مورد دیگر

Tomás Arias is a Professor and Stephen H. Weiss Presidential Fellow in the Department of Physics at Cornell University's College of Arts and Sciences. His research bridges quantum mechanics with real-world materials science, focusing on nanoscale systems, crystal growth, solar cells, and computational methods. He employs large-scale quantum calculations and develops theoretical frameworks to connect atomic-scale phenomena with macroscopic behaviors. Education: B.Sc. in Physics, Massachusetts Institute of Technology (1986) Ph.D., Massachusetts Institute of Technology (1992) Research Focus: Arias' group investigates mechanical properties of nanoscale systems (e.g., carbon nanotubes), quantum processes in solution environments, and photoelectrochemical systems. Recent work integrates machine learning for colloidal nanocrystal synthesis and explores charge density wave dynamics in quantum materials. The team prioritizes problems where quantum perspectives offer transformative insights. Publication Trends: His 15 most recent articles emphasize computational material discovery, electrocatalysis mechanisms, and electron-phonon interactions, with consistent applications in renewable energy and quantum material design. Awards and Honors: Andrew Moore Lockett III Award (1990) SIAM Outstanding Paper Prize (2001) Alfred P. Sloan Foundation Research Fellowship (1993-1999) Advising: Current graduate students include Drake Niedzielski and Tyler Wu. His lab actively collaborates on DOE-funded projects, including energy center grants totaling $12.6M. Laboratories: Leads the Computational Materials Science Group at Cornell, utilizing supercomputing resources for quantum simulations and materials characterization.

Wolfgang Domckeمشاهده پروفایل

استاد

• Theoretical Chemistry
• Photochemistry
• Quantum Dynamics
• +۴ مورد دیگر

Wolfgang Domcke is a Professor of Theoretical Chemistry at the Technical University of Munich (TUM), specializing in photoinduced chemical dynamics of polyatomic molecules. His research employs ab initio quantum mechanics to study photochemical processes, focusing on photostability in biomolecules and solar water splitting. With over 420 publications, his work integrates computational chemistry with ultrafast spectroscopy to map reaction pathways. Education includes a doctorate in theoretical physics from TUM and a habilitation from the University of Freiburg. Previous academic roles include professorships at Heidelberg University and Heinrich Heine University Düsseldorf. Research interests span quantum wave-packet dynamics, molecular spectra, and nonadiabatic transitions. Recent articles emphasize photocatalytic water splitting, excited-state dynamics, and spectroscopic simulations. Awards include the 2008 Copernicus Award and an honorary doctorate from Charles University (2012). He is a member of the International Academy of Quantum Molecular Science and a Fellow of the Royal Society of Chemistry. Current projects explore organic photocatalysts for renewable energy and quantum dynamics of biological chromophores. Future work targets mechanistic insights for sustainable energy technologies.

Yong Hanمشاهده پروفایل

پژوهشگر

• Computational Materials Science
• Condensed Matter Physics
• Surface and Interface Science
• +۳ مورد دیگر

Yong Han is a Research Scientist at the Ames National Laboratory (U.S. Department of Energy) and the Department of Physics and Astronomy at Iowa State University, where he has been employed since 2011. He holds a Ph.D. in Materials Science and Engineering (2007) and an M.S. in Physics (2004) from the University of Utah. His professional trajectory includes positions as a Postdoctoral Research Associate at Ames Laboratory (2007–2011) and Graduate Research/Teaching Assistant roles at the University of Utah. Dr. Han's research integrates computational simulation and physical modeling across atomic to mesoscopic scales. Key focus areas include: Thermodynamic/kinetic properties of bulk materials, surfaces, and interfaces Growth mechanisms of nanofilms and self-assembly of nanostructures Quantum effects in graphene, topological insulators, and silica nanopores Electronic structure analysis using density functional theory, kinetic Monte Carlo, and molecular dynamics His work frequently collaborates with experimental groups utilizing scanning tunneling microscopy. Analysis of recent publications (2023–2025) reveals dominant themes in computational materials science, including intercalation chemistry in 2D materials, metal nanocluster dynamics, surface diffusion phenomena, and method development for nanostructure simulation. Research consistently bridges theoretical frameworks with experimental validations. Dr. Han contributes to major projects including Development of Exascale Software for Heterogeneous & Interfacial Catalysis and Theoretical & Computational Tools for Modeling Energy-Relevant Catalysis . He maintains active collaborations with national laboratories and experimental research teams.

Erik Hoyمشاهده پروفایل

دانشیار

• Quantum Chemistry
• Electron Transport
• Quantum Sensors
• +۳ مورد دیگر

Erik Hoy is an Associate Professor in the Department of Chemistry & Biochemistry at Rowan University, part of the College of Science & Mathematics. He holds a Ph.D. in Physical Chemistry from the University of Chicago and postdoctoral training at Johns Hopkins University and Northwestern University. His research focuses on quantum chemistry methods for studying electron transport, molecular devices, and organic materials. Key areas include developing novel Green’s function approaches combined with high-accuracy quantum chemistry techniques to design quantum sensors, electronic devices, and renewable energy materials. Education: Postdoctoral Associate at Johns Hopkins University and Northwestern University; Ph.D. in Physical Chemistry (University of Chicago); B.S. in Chemistry (Tennessee Tech University). Research Interests: Quantum Chemistry, Electron Transport, Quantum Sensors, Molecular Electronics, Computational Organic Reactions. His group emphasizes high-accuracy electronic structure methods and their application to nanoscale systems, with recent work on molecular junctions and electrocatalysis. Awards: NSF CAREER Award (2024), NSF ExpandQISE Award (2024), Eppley Foundation Grant (2023). His group has secured grants for projects like 'Strongly Correlated Molecular Qubits' and 'Quantum Sensors.' Advising & Grants: Supervises a diverse group of undergraduate and graduate students, including notable advisees such as Grace McGowan and Kale Kroenke. Collaborates with industry and academic partners, such as the Lofland group at Rowan and the Sand group at Butler University. Lab Activities: The Hoy Research Group develops computational tools like pyRUQT and contributes to software like MoleMod. Their work is highlighted in journals like Advanced Functional Materials and Physical Chemistry Chemical Physics .

Qian Yangمشاهده پروفایل

عضو هیئت علمی

• Condensed Matter Physics
• Two-Dimensional Materials
• Nanofluidics
• +۳ مورد دیگر

Dr. Qian Yang is a Senior Research Fellow in the Department of Physics at The University of Manchester, specializing in condensed matter physics and nanofluidics. She leads pioneering research on molecular transport in atomically thin nanocapillaries and capillary condensation phenomena, collaborating with Nobel laureate Prof. Andre Geim. Her work bridges fundamental physics and applied materials science, with breakthroughs in understanding nanoscale fluid behavior. Education Doctor of Science in Graphene-based 2D nanocapillaries (Southwest Jiaotong University, 2018) Doctor of Science at The University of Manchester (2017) Bachelor of Science in Materials Science (Southwest Jiaotong University, 2013) Research Focus Dr. Yang’s research explores molecular structures and transport in van der Waals nanocapillaries, focusing on capillary condensation at atomic scales. Her team uses advanced microscopy, spectroscopy, and computational methods to study phenomena like hydrogen bonding in confined water and electric-field-driven molecular behavior. Recent work validated the Kelvin equation’s applicability at sub-nanometer scales, resolving a 150-year-old physics mystery. Key Achievements Recipient of multiple prestigious awards including the Royal Society University Research Fellowship (2023–2027) and Dame Kathleen Ollerenshaw Fellowship Principal Investigator for projects like "Smart van der Waals Sieves" funded by £4M grants Published 18+ peer-reviewed articles in Nature , Nano Letters , and other top journals Labs & Collaborations Her research is conducted in the Condensed Matter Physics Group at the National Graphene Institute. Collaborators include Prof. Andre Geim’s team, enabling cutting-edge experiments with atomically precise materials. Current projects include developing graphene-based nanosieves for molecular separation and probing confined water dynamics under extreme conditions.

Tom Johnsonمشاهده پروفایل

دانشیار

• Medieval History
• Legal Cultures
• Social History
• +۴ مورد دیگر

Dr. Tom Johnson is an Associate Professor and Tutorial Fellow in Medieval History at Oriel College, University of Oxford. His research focuses on the social and legal history of fourteenth- and fifteenth-century England, particularly examining how ordinary people engaged with legal institutions, economic systems, and environmental challenges. He is the author of Law in Common: Legal Cultures in Late-Medieval England (Oxford University Press, 2020), which explores vernacular legal practices in local communities. Current projects include a study of economic reckoning practices and a microhistory of a fifteenth-century Suffolk fishing village. Affiliations: Oriel College, Oxford Centre for Medieval History Johnson's research interests span legal cultures, historical methodology, and the intersection of environmental change with societal resilience. He has held prestigious fellowships at the National Humanities Center and the British Academy. His work bridges microhistorical analysis with broader theoretical questions about how documents and social practices shape historical understanding. Teaching focuses on medieval social, economic, and cultural history, with a commitment to methodological reflection. Current DPhil student: Sam Riding. Awards: National Humanities Center Fellowship, British Academy Mid-Career Fellowship Lab/Teams: Oxford Centre for Medieval History collaborations

Roger J. Loucksمشاهده پروفایل

استاد

• Theoretical Nuclear Physics
• Particle Physics
• Computational Physics
• +۴ مورد دیگر

Roger J. Loucks is a Professor of Physics at Alfred University’s College of Liberal Arts & Sciences, Department of Physics & Astronomy. He specializes in theoretical nuclear and particle physics, computational physics, and non-equilibrium systems with a focus on glass transition dynamics and enthalpy landscapes. Dr. Loucks holds a PhD from the University of Illinois at Urbana-Champaign (1996), an MS from Rensselaer Polytechnic Institute (1989), and a BS from Houghton College (1987). His research explores glassy materials, configurational entropy, and metastable states, using computational methods like metabasin partitioning and eigenvector-following techniques. Notable contributions include studies on selenium glasses, fictive temperature models, and forbidden glass systems. He teaches advanced courses such as Particle Physics, Quantum Mechanics, and Galactic Dynamics. Awarded multiple Excellence in Teaching Awards (2010, 2014, 2016) and recognized for pedagogical innovation at Creighton University (1999) and the University of Illinois (1991/1996), Loucks balances research excellence with educational impact. His work bridges theoretical physics and applied materials science, emphasizing interdisciplinary approaches to non-equilibrium phenomena.

• Rotational Spectroscopy
• Interstellar Molecules
• Weakly Bound Molecules
• +۳ مورد دیگر

Andrea J. Minei, PhD, is an Associate Professor of Chemistry at Mount Saint Vincent University. She holds a PhD from Wesleyan University, a Certificate of Advanced Graduate Studies from Pace University, and a BS from Sacred Heart University. Her research focuses on rotational spectroscopy, interstellar molecules, and the structure of weakly bound molecules. She also contributes to advancements in spectroscopic instrumentation and pedagogy in chemistry education. Her teaching spans core chemistry courses including General Chemistry, Physical Chemistry, and Advanced Spectroscopy. She is affiliated with professional organizations like the American Chemical Society (ACS), American Physical Society (APS), and Sigma Xi. Research interests include microwave spectroscopic techniques, computational chemistry, and the application of these methods to study fluorinated compounds, van der Waals complexes, and molecular dynamics. Her work bridges theoretical predictions with experimental validation, emphasizing both fundamental science and educational methodologies.

Frank Neeseمشاهده پروفایل

استاد

• Theoretical Chemistry
• Quantum Chemistry
• Molecular Spectroscopy
• +۴ مورد دیگر

Prof. Frank Neese is the Managing Director of the Max Planck Institute for Coal Research and Honorary Professor at the University of Duisburg-Essen. His research focuses on molecular theory, quantum chemistry, and spectroscopy, with a strong emphasis on developing computational methods (e.g., the ORCA software) and their application to catalysis, electronic structure analysis, and transition metal systems. He holds numerous awards, including the Leibniz Prize and membership in prestigious academies. Education: Ph.D. (1997) and Habilitation (2001) in Bioinorganic Chemistry from the University of Konstanz. Postdoc at Stanford University (1997–1999). Previously served as Director of the Max Planck Institute for Chemical Energy Conversion (2011–2017) and Full Professor at the University of Bonn (2006–2011). Research interests include quantum chemical method development, computational studies of catalytic reactions (e.g., water oxidation in photosystem II), and advanced spectroscopic techniques like X-ray absorption/emission and Mößbauer spectroscopy. His ORCA software is widely used globally. Key contributions span over 600 publications, including work on correlated wavefunction methods (DLPNO-CCSD(T)), molecular magnetism, and heterogeneous catalysis. Awards include the Coulson Lectureship (2016), Davidson Lectureship (2015), and Leopoldina membership (2013). Grants and collaborations involve leadership in the Collaborative Research Centre TRR247 (catalysis) and international advisory roles (e.g., Faraday Discussions, GDCh committees). His lab hosts PhD students and postdocs in computational chemistry, spectroscopy, and materials science.

• Variational Transition State Theory
• Chemical Kinetics
• Quantum Chemistry
• +۴ مورد دیگر

Vasileios Melissas serves as an Assistant Professor at the University of Ioannina, where he leads research in theoretical and computational chemistry with emphasis on reaction kinetics and quantum mechanical applications. His work bridges fundamental theoretical developments with practical applications across multiple scientific domains. Dr. Melissas's research program focuses on: Variational Transition State Theory and multidimensional tunneling calculations Development of energy functions and surfaces through ab initio methods Biochemical applications including tyrosine radical interactions with nitric oxide Computational thermochemistry for gas phase reactions and enzymatic systems His theoretical frameworks have been successfully applied to atmospheric chemistry, combustion processes, environmental systems, and biochemical pathways. Dr. Melissas employs sophisticated computational approaches to study non-adiabatic reactions evolving on ground electronic states, with particular attention to quantum tunneling effects and quantized vibrational energy contributions to reaction rates. Analysis of his recent publications reveals a strong focus on atmospheric reaction systems involving halogenated compounds and methane oxidation, with significant methodological contributions to force field development for silicon-based polymers and advancements in reaction rate calculation software. His work consistently integrates quantum mechanical principles with practical chemical applications. Key research contributions include: Development of computational methods for poly(dimethylsilylenemethylene) force fields Theoretical kinetic studies of atmospheric systems (CH3Br + OH, CH3Cl + OH) Refinements to Interpolated Variational Transition State Theory with tunneling corrections Contributions to the POLYRATE software package for polyatomic reaction rate calculations Dr. Melissas maintains active research collaborations, particularly with prominent theoretical chemists including D. G. Truhlar, and continues to advance computational methodologies for studying complex chemical reaction systems through his research group at the University of Ioannina.

Martin Lerchمشاهده پروفایل

استاد

• Solid State Chemistry
• Electrooptical Materials
• Solid Electrolytes
• +۳ مورد دیگر

Prof. Dr. Martin Lerch is a faculty member at the Technische Universität Berlin, affiliated with the Department of Inorganic and Analytical Chemistry. His research focuses on solid state chemistry, electrooptical materials, solid electrolytes, catalysts, and pigments. He has contributed to numerous high-impact publications in areas such as electrocatalysis, materials synthesis, and spectroscopic analysis. His work includes pioneering studies on manganese nitride catalysts for oxygen evolution reactions, structural characterization of tantalum-based materials, and innovative uses of biomass-derived carbon supports for catalytic nanoparticles. Prof. Lerch's research bridges fundamental chemistry with applied materials science, addressing challenges in energy storage and conversion. He holds a permanent academic position as a Professor and leads a research group at TU Berlin's Chemistry Institute. His laboratory focuses on synthesizing novel inorganic materials and probing their electronic and structural properties using advanced spectroscopic techniques.