Find Academic Supervisors

• Physical Chemistry
• Computational Chemistry
• Multiscale Modeling
• +5 more

Oliviero Andreussi is an Associate Professor in the Department of Chemistry at Boise State University. His research focuses on computational science applied to chemistry, materials science, and biophysics, with an emphasis on developing multiscale models for environment effects in wet materials interfaces. He holds a Ph.D. and M.S. in Physical Chemistry from the Scuola Normale Superiore of Pisa, Italy. His work includes open-source software development, such as continuum embedding libraries and Python workflows for high-throughput materials analysis, and integrates machine learning to improve simulation accuracy. Research interests span electrocatalyst design (e.g., 2D materials for water splitting), solvent effects in biomolecular systems, and computational methods for electrochemical interfaces. He has received the NSF CAREER Award (2020) and led grants on topics like 'Multiscale and Machine-Learning Approaches for Electrified Interfaces' and 'First-Principles High-Throughput Analysis of Gas Hydrates'. Teaching includes advanced physics courses (Statistical Mechanics, Computational Physics) at the University of North Texas and chemistry education at the University of Pisa. His lab emphasizes undergraduate research, requiring 10 weekly hours over 3–4 semesters, with opportunities for conference presentations and co-authorship. Current projects involve Unix/terminal proficiency and scripting for computational workflows. Awards: NSF CAREER Award (2020) Grants: NSF OAC (MRI Cluster), ACS Petroleum Research Fund, NSF CSSI Program Labs/Teams: Focus on computational modeling, open-source software (Fortran/Python), and collaboration with experimental groups.

• Theoretical Chemistry
• Catalysis
• Molecular Dynamics Simulations
• +4 more

Prof. Eckhard Spohr is a Professor of Theoretical Chemistry at the University of Duisburg-Essen, Germany. He leads Project A6 in the Collaborative Research Centre/TRR 247, focusing on molecular dynamics simulations of transition metal oxide-water interfaces to understand catalytic activity correlations. His research integrates theoretical and computational methods across electrochemistry, materials science, and nanotechnology. Education: 1995: Habilitation in Theoretical and Computational Chemistry, Ulm University 1986: PhD from Johannes Gutenberg-Universität Mainz 1983: Diploma in Chemistry from Johannes Gutenberg-Universität Mainz His research interests span molecular dynamics simulations, catalysis mechanisms, and surface-electrode interactions. Recent work emphasizes computational studies of transition metal oxides, photocatalytic materials, and nanoengine design. He has pioneered studies on proton transfer dynamics, silver deposition kinetics, and doped nanomaterials for energy applications. Awards include the Merckle Research Prize (2008), Feodor-Lynen Fellowship (1989-1990), and Otto-Hahn Medal (1988). His contributions bridge theoretical models with experimental catalytic systems, fostering advancements in sustainable energy materials. Grants and collaborations include leadership in TRR247 involving Max Planck institutes and Ruhr-University Bochum. Current projects focus on operando catalytic interfaces and photocatalytic water splitting systems. His theoretical frameworks underpin experimental efforts in energy conversion and nanotechnology.

• Optical near field spectroscopy
• Carbon nanotubes
• Graphene
• +5 more

Prof. Janina Maultzsch is a Professor at the Institute of Solid State Physics (IFKP) at Technische Universität Berlin, affiliated with Faculty II - Mathematics and Natural Sciences. Her research focuses on nanomaterial characterization using advanced spectroscopic techniques such as Raman combined with scanning probe methods (AFM/STM/TERS), specifically targeting carbon nanotubes, graphene, and biomolecules. She has pioneered studies on molecular encapsulation in nanotubes and vibrational properties of 2D materials. Her ERC Starting Grant (2010) supported investigations into carbon nanotube and graphene characterization. Key collaborations include work with Prof. Christian Thomsen's group. She leads the Maultzsch Research Group at TU Berlin, with a lab focusing on near-field optical spectroscopy and nano-optoelectronics. Contact: janina@physik.tu-berlin.de . Recent research highlights include: TERS analysis of nanotube bundle dynamics Optical properties of functionalized nanomaterials First-principles modeling of graphene nanoribbon behavior Biophysical studies of photosystem II crystals Publications span influential journals like Chemical Physics, Physica Status Solidi B, and Physical Review B, with a focus on interdisciplinary nanoscience.

Dimitri KilinView profile

Professor

• Computational Chemistry
• Materials Science
• Nanotechnology
• +3 more

Dr. Dimitri Kilin is a Professor in the Department of Chemistry and Biochemistry at North Dakota State University (NDSU). His research focuses on developing first-principles molecular dynamics approaches to study laser-driven chemical reactions and light-induced processes in nanostructures, with applications in energy conversion and optoelectronic materials. He holds a Ph.D. from Chemnitz University of Technology (Germany) and completed postdoctoral research at the University of Oregon, University of Washington, and University of Florida. His research group investigates photocatalytic mechanisms, photopolymerization, and photodesorption processes in materials like silicon nanocrystals and carbon nanotubes. They collaborate on modeling charge transfer dynamics in nanostructured surfaces and interfaces, critical for solar energy applications. Key projects include designing efficient photovoltaic materials and understanding exciton relaxation in 2D perovskites. Dr. Kilin has received an NSF CAREER Award and contributes to interdisciplinary collaborations. His work bridges computational chemistry, materials science, and nanotechnology, with applications in sustainable energy and nanomaterials engineering. His lab emphasizes machine learning acceleration for material design and interpretable simulations of complex photochemical reactions. Publications and grants highlight his focus on photoluminescence in nanocrystals, polaron dynamics in perovskites, and defect engineering in semiconductors. He collaborates with experimentalists to validate computational predictions, aiming to advance practical energy conversion technologies.

• Computational Materials Science
• Semiconductor Nanostructures
• Quantum Mechanics
• +5 more

Dr. Hulusi Yilmaz is an Assistant Professor of Physics at Harrisburg University of Science and Technology. His research focuses on computational studies of atomic and electronic properties of semiconductor materials and nanostructures, including wide-bandgap semiconductors, carbon nanomaterials, topological materials, and photovoltaic cells. He integrates machine learning techniques into materials science to advance emerging technologies. Dr. Yilmaz holds a Ph.D. in Physics and teaches a broad range of physics, mathematics, and engineering courses. His work explores quantum mechanical methods to uncover material characteristics, with recent emphases on Sb₂Se₃ nanostructures, GaN nanotubes, and ferroelectric-semiconductor solar cells. His publications span topics like nanowire orientation effects, electronic bandgap engineering, and nanoscale interconnects. While no formal awards or grants are listed, his research portfolio demonstrates expertise in computational materials modeling, nanotechnology, and interdisciplinary applications of physics. He advises students in experimental and theoretical aspects of materials science and contributes to advancing energy-efficient technologies through his work on photovoltaic systems.

• Mathematical Modelling of Infectious Diseases
• Computational Materials Science
• Theoretical Semiconductor Physics
• +5 more

Dr. Maja Krcmar is a Professor of Physics at Grand Valley State University (GVSU), part of the College of Liberal Arts & Sciences. She holds a Ph.D. in Physics (Condensed Matter Theory) from Texas A&M University (2001) and has been with GVSU since 2004, progressing from Adjunct Faculty to her current rank. Her research spans computational materials science, theoretical semiconductor physics, and recently mathematical modeling of infectious diseases. She teaches a wide range of physics courses including computational physics, solid-state physics, and advanced mechanics. Education: Ph.D., Texas A&M (2001); M.S., Texas A&M (1998); B.S., University of Belgrade (1995). Research interests include structural phase transformations in alloys, ferroelectric oxides, and nanocluster dynamics. She collaborates on projects involving first-principles calculations and molecular dynamics simulations. Dr. Krcmar has advised numerous undergraduate research projects in computational physics and materials modeling. Selected publications highlight work on shape-memory alloys, semiconductor carrier dynamics, and phase stability in intermetallic systems. Her recent focus on infectious disease modeling reflects an adaptation to pandemic-era challenges in applied physics.

Kendra Letchworth-WeaverView profile

Associate Professor

• Computational Physics
• Renewable Energy Technology
• Solid-Liquid Interfaces
• +3 more

Kendra Letchworth-Weaver is an Associate Professor in the Department of Physics & Astronomy at James Madison University (JMU), where she has been since 2018. Her research focuses on computational modeling of solid-liquid interfaces critical to renewable energy technologies, including batteries and water filtration systems. She leverages JMU's high-performance computing resources and open-source software to study atomic-scale phenomena at material surfaces. Dr. Letchworth-Weaver earned her Ph.D. in Theoretical Physics from Cornell University (2016) and a BS in Physics & Mathematics from The College of William and Mary (2007). Her work bridges computational physics with experimental validation, particularly through X-ray reflectivity analysis and density functional theory (DFT). Research Interests: Computational modeling of electrochemical interfaces Materials for energy storage and sustainability Interfacial structure prediction using joint density functional theory (JDFT) Surface science and catalysis Development of computational tools for materials characterization Key Research Trends in Articles: Her publications emphasize computational-experimental synergy, advancing understanding of complex interfaces in energy systems. Recent work includes optimizing strontium titanate surfaces for heteroepitaxy, validating interfacial models via X-ray data, and developing machine learning approaches for materials discovery. Education-focused papers address diversity and inclusion in physics education. Labs & Resources: Her research uses JMU's Madison Accelerator Lab and high-performance computing cluster, complemented by collaborations in theoretical physics and computational chemistry. She actively contributes to open-source software like JDFTx.

• Quantum Transport
• Nanomaterials Engineering
• Graphene Technology
• +7 more

Mads Brandbyge is a Professor in the Department of Physics at the Technical University of Denmark (DTU). His research focuses on quantum transport phenomena in novel nanomaterials, particularly graphene-based systems and molecular junctions. He leads advancements in computational methods for simulating electronic and structural properties at the atomic scale, with a particular emphasis on first-principles modeling using tools like TranSIESTA and QuantumATK. His work addresses fundamental questions in 2D materials engineering, including electronic decoupling in graphene heterostructures, chiral current control, and topological phase transitions. He has pioneered studies on nanoporous graphene's Talbot effect, current-induced mechanical effects in nanoconductors, and spin-polarized electron transport in nanoribbon networks. Brandbyge has contributed to the development of large-scale simulation techniques for devices exceeding 100 nm in scale, bridging atomistic modeling with practical device applications. Key areas of exploration include: Quantum interference in graphene nanostructures Vibrational and electronic properties of molecular junctions Electrochemical modulation of carbon nanocircuitry Interface engineering in photovoltaic materials Atomically precise defect control in 2D materials His recent publications (2023-2025) emphasize twistronics in graphene bilayers, spin-crossover phenomena in molecular systems, and topological transitions in strained oxides. These studies highlight a strong focus on manipulating electronic properties through atomic-scale structural control, with applications in next-generation nanoelectronics and quantum devices. Brandbyge has organized international conferences and collaborates widely in the field of 2D materials. His research methodologies integrate density functional theory, nonequilibrium Green's functions, and molecular dynamics to achieve multiscale insights into nanoscale systems.

Aaron RuryView profile

Associate Professor

• Materials Science
• Vibrational Spectroscopy
• Ultrafast Dynamics
• +5 more

Aaron Rury is an Associate Professor in the Department of Chemistry at Wayne State University, affiliated with the College of Liberal Arts and Sciences. His research focuses on ultrafast dynamics of emerging materials using vibrational spectroscopy and ultrafast laser techniques. The Materials Structural Dynamics Laboratory (MSDL) under his leadership explores structure-property relationships in materials for next-generation electronics, photonics, and information science. Education: B.S. Physics (Minor in Chemistry), University of Illinois at Urbana-Champaign, 2004 Ph.D. Applied Physics, University of Michigan, 2012 Caltech Postdoc at JPL, 2012-2014 Postdoctoral Scholar, University of Southern California, 2014-2017 Research Interests: His work combines experimental, theoretical, and computational methods to study charge/energy transport in semiconductors, quantum control of molecular systems, and dynamics near ferroelectric phase transitions. The MSDL uses ultrafast laser spectroscopy (sub-femtosecond pulses) to probe nonlinear optical phenomena, quantum coherence, and material dynamics. Key areas include defect engineering in 2D perovskites, cavity polaritons, and THz spectroscopic characterization of metastable defects. Grants & Awards: NSF CAREER Award (2023) Air Force Young Investigator Award (2018) ACS Petroleum Research Fund Award (2018) Teaching: He instructs advanced courses such as Molecular Spectroscopy (CHM7480), Chemical Kinetics (CHM7430), and Seminar in Physical Chemistry (CHM8830). Labs/Teams: The Materials Structural Dynamics Laboratory (MSDL) is a multidisciplinary group focused on material discovery and tool development for emerging technologies. Current projects investigate semiconductor transport mechanisms, light-matter interactions, and phase transition dynamics using ultrafast spectroscopic techniques.

• Biochemistry
• Molecular Genetics
• Cancer Research
• +3 more

William Placzek is an Associate Professor at the University of Alabama at Birmingham in the Biochemistry & Molecular Genetics department. He also holds secondary appointments in the College of Arts and Sciences - Chemistry and School of Medicine institutions. His research focuses on biochemical mechanisms of chemoresistance, utilizing NMR spectroscopy and synthetic peptides to identify therapeutic targets. Degree: PhD in Molecular Biology from The Scripps Research Institute (2007) Postdoctoral Training: Sanford-Burnham Medical Research Institute (2007-2012) Key research areas involve: rBH3 motif regulation of anti-apoptotic Bcl-2 proteins Targeted inhibitors of SUMOylation enzyme Ubc9 Peptide-based high-throughput screening assays Development of first-in-class peptide inhibitors His recent publications examine metabolic vulnerabilities in renal cancer, glioblastoma sensitization through HDAC inhibition, and epigenetic mechanisms in mixed lineage leukemia. Notably, he serves as Director of Central Alabama High-Field NMR Facility and Co-Director of UAB Structural Biology Core Facility . Teaching activities include: Biochemical Principles Enzyme Kinetics Student Theme Meetings Journal Club facilitation

Srinivasan SrivilliputhurView profile

Professor

• Materials Science
• Computational Materials
• Alloy Design
• +2 more

Srinivasan Srivilliputhur is a Professor in the Department of Materials Science and Engineering at the University of North Texas. His research focuses on computational materials science, particularly atomistic simulations and first-principles calculations to understand alloy behavior under various conditions. He investigates phase transformations, deformation mechanisms, and strengthening processes in advanced metallic systems including high-entropy alloys and titanium-based systems. His research interests include computational modeling of material properties, deformation mechanisms in metallic alloys, phase stability under thermal processing, and microstructure-property relationships in additively manufactured materials. His work combines theoretical approaches with practical applications in materials design. Analysis of recent publications shows consistent focus on computational materials science, with significant contributions to understanding high-entropy alloys, titanium alloys, and additive manufacturing processes. The research demonstrates sophisticated use of atomistic simulations and first-principles calculations to predict material behavior and guide experimental validation.

Sanwu WangView profile

Professor

• Condensed Matter Physics
• Materials Science
• Nanotechnology
• +8 more

Sanwu Wang is a Professor of Physics & Engineering Physics and Coordinator of the Graduate Program in Physics & Engineering Physics at The University of Tulsa. His expertise lies in theoretical condensed matter physics, materials science, and nanotechnology. He leads research using first-principles density functional theory and ab initio molecular dynamics simulations to study electronic materials, nanocatalysts, superconductors, and renewable energy materials. Education: Ph.D. in Physics (1999) from the University of Newcastle, Australia; Postdoctoral research at Vanderbilt University and Florida State University (1999–2006). His academic journey includes roles as a research assistant professor at Vanderbilt before joining TU in 2006. Research Interests: Condensed matter theory, quantum theory applications, computational materials science, high-entropy ceramics, solar cell perovskites, and nanocomposite mechanics. His work focuses on predicting novel materials for energy storage, catalysis, and nanotechnology through advanced quantum-mechanical modeling. Awards: 2012 Zelimir Schmidt Award for Outstanding Research (TU), 2008 Ralph E. Powe Junior Faculty Award (ORAU), and multiple Overseas Postgraduate Research Scholarships (Australia). Advising & Grants: Mentors postdoctoral researchers, Ph.D./M.S. students, and undergraduates. Research funded by NSF, DOE, NASA, and other agencies. Active in teaching advanced physics and engineering courses. Labs/Teams: Leads TU’s computational materials theory group, collaborating on interdisciplinary projects in energy materials and nanotechnology.

• Electrochemistry
• Materials Science
• Energy Storage
• +6 more

Dr. Zhenyu Wang is a Researcher at the Max Planck Institute for Sustainable Materials in Düsseldorf, Germany, specializing in computational materials design with a focus on electrochemistry and corrosion science. His research emphasizes ab-initio modeling of electrochemical solid/liquid interfaces, energy storage systems, and novel materials for photovoltaics and thermoelectrics. Education: B.Sc. in Physics, Xi'an Jiaotong University (2009-2013) Ph.D. in Electrical Engineering, Xi'an Jiaotong University (2013-2020) Visiting Ph.D. in Chemistry, University College London, UK (2016-2018) Research Interests: His work spans several key areas including: Ab-initio modeling of electrochemical interfaces Energy storage mechanisms in metal-air and metal-ion batteries Two-dimensional hybrid perovskites for photovoltaic applications High-performance thermoelectric materials and transparent conducting oxides Defect chemistry analysis in energy conversion materials Professional Background: Since 2021: Postdoctoral Researcher at Max-Planck-Institut für Eisenforschung and Max Planck Institute for Sustainable Materials Publications: His recent work focuses on advancing computational methods for modeling electrochemical systems, exploring novel materials for energy storage and conversion applications, and understanding interface phenomena through first-principles calculations and molecular dynamics simulations. Awards & Grants: No specific awards or grants mentioned in the provided information. Labs & Collaborations: Affiliated with the Department of Computational Materials Design, contributing to interdisciplinary research at the Max Planck Institute.

• Condensed Matter Physics
• Materials Science
• Nanotechnology
• +5 more

Elena DEGOLI is a Full Professor at the University of Modena and Reggio Emilia, affiliated with the Department of Engineering Sciences and Methods. Her academic role focuses on theoretical physics of matter and materials science, with expertise in solid-state physics, nanotechnology, and computational modeling. Teaching: She currently teaches Physics I and Physics II for Mechatronic Engineering students, covering classical mechanics, thermodynamics, electromagnetism, and optics. Courses emphasize problem-solving, theoretical analysis, and experimental techniques. Research: Prof. DEGOLI's work spans defects in semiconductors, lithium-ion battery materials, nonlinear optics in solids, and silicon nanocrystals. Key areas include: Grain boundary dynamics and impurity segregation in silicon Computational modeling of electronic and thermal properties in nanostructures Development of novel battery anode materials using self-healing binders Optoelectronic properties of strained silicon and HfO₂ systems Publications: Her research has been published in top journals like Thin Solid Films , Journal of Materials Chemistry A , and Physical Review B , with a focus on multiscale modeling and first-principles simulations. Advising & Grants: While no specific grants or student advisement details are listed, her extensive publication record indicates active research collaborations and mentorship in computational and experimental materials science.

Christopher ClevelandView profile

Assistant Professor

• Wildlife Diseases
• Molecular Parasitology
• Vector-Borne Pathogens
• +5 more

Christopher Cleveland is an Assistant Professor in the Department of Population Health at the University of Georgia's College of Veterinary Medicine, affiliated with the Southeastern Cooperative Wildlife Disease Study (SCWDS). His work bridges molecular parasitology, wildlife health, and One Health approaches to combat zoonotic diseases and neglected tropical diseases (NTDs). He specializes in understanding parasite life cycles, transmission dynamics, and the impacts of climate/landscape changes on wildlife disease epidemiology. Education: Christopher Cleveland holds a BS, MS, and PhD, though specific degree institutions are not listed in the provided text. Research Interests: Dr. Cleveland's research focuses on Wildlife diseases and molecular parasitology Vector-borne pathogens and zoonoses Surveillance strategies for NTDs Climate change effects on disease ecology Guinea worm (Dracunculus) eradication in Chad/Ethiopia Parasite-host interactions in mammals, birds, and reptiles . His work integrates field collections, molecular techniques (PCR, LAMP), and spatial ecology tools like GPS collars and game camera data. Publications Trends: Recent articles emphasize tick-borne diseases in domestic dogs (Chad), hemorrhagic disease in deer, and novel insights into Dracunculus species diversity in North American wildlife. His studies often highlight One Health collaborations, zoonotic transmission risks, and environmental drivers of disease spread. Teaching: He teaches courses such as Principles of Wildlife Disease (Warnell School of Forestry), Infectious and Vector-Borne Diseases in Wildlife , and a First-Year Odyssey seminar on bloodsuckers in changing climates. No specific grants or advisees are listed in the provided text. Labs/Teams: Primary affiliation with SCWDS and the Department of Population Health, collaborating on Guinea worm eradication and wildlife disease surveillance initiatives.