جست‌وجوی استاد و پژوهشگر

William A. Goddard, IIIمشاهده پروفایل

استاد

• Quantum Chemistry
• Molecular Dynamics
• Statistical Physics
• +۷ مورد دیگر

William A. Goddard, III is the Charles and Mary Ferkel Professor of Chemistry, Materials Science, and Applied Physics at the California Institute of Technology. With a career spanning over five decades, he has held positions from Noyes Research Fellow (1964–66) to his current professorship since 2001. His educational background includes a B.S. from UCLA (1960) and a Ph.D. from Caltech (1965). Quantum chemistry and first-principles simulations Multiscale modeling (QM→MD→mesoscale) Catalysis and protein structure prediction Nanotechnology and bionanotechnology Energy storage (batteries, supercapacitors) Recent publications emphasize applications in metal-organic frameworks , electrocatalysis , and space manufacturing , reflecting his interdisciplinary approach. His work on G-protein coupled receptors and Li-S batteries demonstrates methodological innovation through quantum mechanics and machine learning . Horizon Prize , Royal Society of Chemistry Over 1548 total publications (1967–2022) As Director of Caltech's Material and Process Simulation Center , he leads development of software like ReaxFF for reactive dynamics. He teaches Ch 120 ab (Nature of the Chemical Bond) and Ch 121 ab (Atomic-Level Simulations), emphasizing hands-on computational applications for experimentalists and theorists.

Cesare Franchiniمشاهده پروفایل

استاد

• Quantum Materials
• Computational Physics
• First Principles Methods
• +۷ مورد دیگر

Cesare Franchini is a full Professor at the University of Vienna's Faculty of Physics, leading the Computational Materials Physics research group. His work focuses on theoretical understanding and computational modeling of quantum materials using first principles methods, particularly VASP. He maintains an active research program with numerous postdocs, PhD students, and collaborations across multiple institutions including the University of Bologna. Professor Franchini's research centers on quantum materials with many interacting degrees of freedom (lattice, spin, and electron orbital) that enable novel electronic and magnetic phases. His specific interests include metal-insulator transitions, polaron physics (electron-phonon interactions), non-collinear spin orderings, topological Dirac/Weyl phases, multiferroism, and superconductivity. He has increasingly incorporated machine learning data-driven tools and diagrammatic Monte Carlo techniques into his computational approaches. Analysis of his recent publications (2024-2025) reveals a strong focus on polaron physics across multiple material systems, with significant work on hematite, titanium dioxide, and quantum paraelectrics like KTaO3. His research increasingly integrates machine learning with traditional first-principles methods, particularly for studying hydrogen diffusion, surface science phenomena, and electronic structure calculations. There's also substantial work on single-atom catalysis and the application of advanced computational techniques to understand fundamental charge transport mechanisms in energy materials. Professor Franchini actively supervises numerous PhD students and postdocs, including Andrea Angeletti, Viktor Birschitzky, Lorenzo Celiberti, and several others working on diverse aspects of computational materials physics. He leads or participates in major research projects including TACO (Taming Complexity in Materials Modeling), DCAFM (Doctoral College Advanced Functional Materials), and the recently launched Spin-orbit entangled anharmonic polarons project. His group maintains strong collaborations with experimentalists at Charles University, Technical University of Vienna, and other international institutions.

Huaxiang Fuمشاهده پروفایل

استاد

• Ferroelectric Materials
• Quantum Dots
• Density Functional Theory
• +۴ مورد دیگر

Dr. Huaxiang Fu is a Professor in the Department of Physics at the University of Arkansas' College of Arts & Sciences, where he has been since 2002. His research focuses on first-principles computational studies of bulk and nanomaterials, particularly ferroelectric materials, quantum dots, and organic-inorganic hybrid materials. Education: Ph.D., Fudan University, China (1994) Postdoctoral Associate, National Renewable Energy Lab, Colorado (1995–1998) Postdoctoral Associate, Geophysical Lab, Carnegie Institution of Washington, DC (1999–2000) Dr. Fu's research spans five key areas: phase transitions in low-dimensional ferroelectrics, finite electric fields in solids, defect physics in ferroelectrics, hyperferroelectricity, and organic-inorganic hybrid materials. His work often employs density functional theory and computational modeling to explore polarization behavior, strain effects, and electronic structure. His recent publications highlight trends in ferroelectricity under strain , defect-induced polarization changes , and spin-orbit coupling effects . Notable collaborations include researchers at Carnegie Institution and University of Arkansas. Teaching: Undergraduate: General Physics, Statics, Mechanics of Materials, University Physics II, Electromagnetism, Fortran Programming, Computational Physics in C++, Physics for Architects II, Thermal Physics. Graduate: Statistical Mechanics, Solid State Physics, Optical Properties of Materials, Advanced Solid State Physics, Physics at the Nanoscale, Quantum Mechanics, Mathematical Methods. Research Contributions: 2004: Nature publication on ferroelectric nanodisks 2000: Nature paper on polarization rotation in piezoelectrics 2013: Pioneering work on electromechanical angular momentum coupling

• Theoretical Condensed Matter Physics
• Ultrafast Magnetism
• Orbitronics
• +۷ مورد دیگر

Peter Oppeneer is a Professor in the Materials Theory group within the Department of Physics and Astronomy at Uppsala University, Sweden. His research program focuses on theoretical condensed matter physics with emphasis on ultrafast phenomena and magnetic materials. His research interests span femtosecond magnetism, ultrafast spin and orbital currents, out-of-equilibrium magnon and phonon dynamics, unconventional superconductivity, multipolar and hidden order parameters, and orbitronics. The group develops both analytical theories and numerical simulation codes, combining ab initio methods with model Hamiltonian approaches. Key research thrusts include ultrafast demagnetization mechanisms, spin-crossover materials, molecular spintronics, and topological quantum states in magnetic materials. Analysis of recent publications reveals strong focus on altermagnetism, terahertz spin dynamics, Dirac semimetals, and laser-induced phase transitions. The group's work bridges fundamental quantum theory with applications in next-generation spintronic devices and ultrafast magnetic switching technologies. Collaborative activities include work with experimental groups on ultrafast spectroscopy, X-ray magnetic circular dichroism, and terahertz emission studies. The group maintains active collaborations across Europe and internationally, particularly in the areas of femtosecond magnetism and topological materials. Research infrastructure includes development of specialized computational codes for Eliashberg theory, dynamical mean field theory, and ultrafast spin dynamics simulations. The group contributes to major international facilities including synchrotron and free-electron laser sources for time-resolved studies.

Marco Bernardiمشاهده پروفایل

استاد

• Theoretical Materials Physics
• Computational Materials Science
• Electron Transport
• +۷ مورد دیگر

Marco Bernardi is a Professor of Applied Physics, Physics and Materials Science at the California Institute of Technology (Caltech). His research focuses on theoretical and computational materials physics , developing first-principles methods to investigate electron transport, ultrafast dynamics, and light-matter interactions in materials. His work has applications in electronics, optoelectronics, ultrafast spectroscopy, energy technologies, and quantum devices. Education : Ph.D. in Materials Science from MIT (2013), M.S. from University of Rome Tor Vergata (2008), B.S. from University of Rome La Sapienza (2004). Research Interests : Electron-phonon interactions, polarons, spin relaxation and decoherence, nonequilibrium electron dynamics, quantum materials, and software development for materials simulations ( PERTURBO code). Scientific Awards : NSF CAREER Award (2018) AFOSR Young Investigator Award (2017) Psi-K Volker Heine Young Investigator Award (2015) Intel Ph.D. Fellowship (2013) Franco Strazzabosco Award (2020) Teaching : Offers graduate courses at Caltech including Structure and Bonding in Materials (MS 131) , Computational Solid State Physics (APh/MS 256) , and Introduction to Computational Methods (APh/MS 141) . Group Members : Mentors current graduate students and postdocs in developing advanced computational techniques for materials research, with former advisees now in academic and industry positions.

Sylvain Cristolمشاهده پروفایل

استاد

• Heterogeneous Catalysis
• Quantum Chemistry
• Solid-State Spectroscopy
• +۴ مورد دیگر

Sylvain Cristol is a Professor at the University of Lille within the Heterogeneous Catalysis department and the Modeling and Spectroscopy (MODSPEC) group. He teaches quantum chemistry, chemical bonding, statistical physics , and X-ray absorption spectroscopy at the university’s European Master’s program. PhD in Molecular and Organic Chemistry (1997-2000, Université de Provence) Postdoctoral work at Davy-Faraday Research Lab, Royal Institution of Great Britain (2000-2002) His research focuses on modeling hydrodesulfurization and hydrodeoxygenation catalysts for biomass valorization, supported by ANR-PNRB project ECOHDOC (with Caen, Poitiers, and TOTAL). He pioneered operando X-ray absorption spectroscopy for characterizing supported oxides (Mo/Re on alumina/anatase) via the ANR SAXO project (Paris VI, Grenoble, SOLEIL). Collaborative work with Francesco Mauri (Paris VI) advanced NMR parameter modeling in solids. Publications span DFT studies , XANES spectroscopy , and solid-state NMR applied to catalysis. Scientific awards include the UCCS Thesis Prize (highest honors) for his work on dibenzothiophene reactivity on molybdenum sulfide.

Michael Stevensمشاهده پروفایل

مدرس ارشد

• Biomedical Engineering
• Advanced Manufacturing
• Digital Manufacturing
• +۶ مورد دیگر

Dr. Michael Stevens is a Senior Lecturer at University of New South Wales (UNSW) Canberra , where he focuses on advanced manufacturing and biomedical device control systems . His work bridges digital manufacturing for SMEs with smart artificial heart technologies , emphasizing industry collaboration and translational research. Specializes in physiological control systems for rotary blood pumps Develops unobtrusive fall detection systems for dementia patients Leads international projects on total artificial heart development Education : B.Eng (Medical - First Class Honours), Queensland University of Technology (2010) PhD in Physiological Control for Biventricular Assist Devices, University of Queensland (2014) Research Trends show consistent focus on: Machine learning for biomedical diagnostics (2018–2025) mmWave radar and thermal sensors in patient monitoring (2021–2024) Computational fluid dynamics in artificial heart modeling (2016–2024) Physiological control algorithms for rotary blood pumps (2011–2025) Scientific Awards : UNSW Scientia Education Award (2021) for contextual teaching Heart Foundation Runner-up for "Smart Artificial Hearts" pitch (2021) ARC PGC Supervisor Award (2017) for mentoring Grants & Supervision : Holds over $6 million in competitive funding including MRFF and ARC grants. Currently supervises 4 PhD students while maintaining industry partnerships with VitalCare and BiVACOR. Labs & Facilities : Works across UNSW Engineering labs and Graduate School of Biomedical Engineering platforms, including mock circulation loops and high-performance computing clusters for CFD simulations.

• Computational Materials Science
• Electronic Structure Theory
• Solid-State Physics
• +۵ مورد دیگر

Nicola Marzari is a Professor of Theory and Simulation of Materials at EPFL, where he also serves as Director of the National Centre for Computational Design and Discovery of Novel Materials (NCCD). He is Chairman of Psi-k, an international network for advanced materials' computational design. Previously, he held the Toyota Chair of Materials Engineering at MIT and leadership roles at the University of Oxford, including Director of the Materials Modeling Laboratory and a Statutory Chair in Materials Modeling. His education includes a Laurea in Physics (summa cum laude) from the University of Trieste, a PhD in Physics from the University of Cambridge under Prof. Michael C. Payne, and postdoctoral work at Rutgers University with Prof. David Vanderbilt. Marzari's research focuses on computational materials science, electronic structure theory, and high-throughput simulations. He develops methods for predicting material properties using first-principles approaches, machine learning, and quantum espresso software. Key areas include energy materials (batteries, thermoelectrics), magnetic materials, and optoelectronic systems. His work bridges fundamental physics and practical material design, emphasizing reproducible workflows and open-source tools like koopmans and AiiDA . His recent articles highlight advancements in machine learning for materials interfaces, dynamical Hubbard functionals, and thermal conductivity modeling. He actively contributes to EuroHPC initiatives for exascale materials design and OPTIMADE standards for materials data exchange. Marzari leads interdisciplinary teams at EPFL and collaborates globally on projects ranging from defect engineering in semiconductors to AI-driven materials discovery. His research aims to accelerate the development of sustainable energy and electronic technologies through computational innovation.

• Materials Science
• Computational Physics
• Electronic Structure Theory
• +۳ مورد دیگر

Deyu Lu is a Physicist with continuing appointment at the Center for Functional Nanomaterials (CFN), Brookhaven National Laboratory, a position held since 2018, and concurrently serves as an Adjunct Professor in the Department of Materials Science and Engineering at Stony Brook University since 2012. His work bridges theoretical physics and materials engineering through advanced computational methodologies. Dr. Lu's educational background includes: B.S. in Physics, Tsinghua University, China, 1997 M.S. in Physics, Chinese Academy of Sciences, 2000 Ph.D. in Physics, University of Illinois at Urbana-Champaign, 2000 His research centers on developing first-principles computational methods including density functional theory and many-body perturbation theory to investigate materials properties. Current focus areas encompass catalytic behavior of 2D zeolites, computational modeling of X-ray spectroscopy (XPS/XAS/XES) for catalysis and battery systems, and machine learning applications for structure-property relationship analysis. This work positions him at the intersection of computational physics, materials characterization, and data science. Analysis of his 2017-2024 publications reveals a progressive integration of machine learning with spectroscopic techniques, particularly in X-ray absorption analysis. Key contributions include the Lightshow Python package for computational spectroscopy inputs and methods for decoding structure-spectrum relationships using physically constrained latent spaces, demonstrating significant advancement in data-driven materials characterization. Within Brookhaven's CFN, Dr. Lu actively contributes to the Theory/Computation group and has organized multiple workshops at NSLS-II and CFN User Meetings, including the 2023 Workshop on X-ray Absorption Spectroscopy Curation, the 2022 Symposium on Electronic Structure of Nanomaterials honoring Dr. Mark Hybertsen, and 2021-2022 workshops on machine learning for battery development and X-ray scattering.

Saket Asthanaمشاهده پروفایل

استاد

• Ferroelectrics
• Energy Storage
• Piezoelectrics
• +۷ مورد دیگر

Prof. Saket Asthana is a Professor in the Department of Physics at the Indian Institute of Technology Hyderabad (IIT Hyderabad), where he leads the Advanced Functional Materials Laboratory (AFML). His academic qualifications include a Ph.D. from IIT Bombay, an M.Tech. from IIT BHU, and an M.Sc. from Banaras Hindu University. He has held postdoctoral positions at Osaka University (Japan), ICMCB-CNRS (France), and Kyungpook National University (South Korea). His research focuses on functional materials with emphasis on: Ferroelectrics and piezoelectric systems for energy storage Multiferroics and magnetoelectric composites Photocatalytic materials for energy conversion Lead-free relaxor ceramics and nanostructured oxides Cation engineering for property optimization Analysis of his 50+ publications reveals dominant themes in lead-free piezoelectric ceramics, rare-earth substituted bismuth ferrites, magnetocaloric effects, and photoelectrochemical materials. His work consistently bridges fundamental property characterization with applications in energy storage, sensors, and catalysis. Honors include being elected as a Fellow of the Royal Society of Chemistry . He has supervised 10+ PhD students and 15+ Master's students, with current advisees working on piezoelectric ceramics, multiferroic composites, and energy storage materials. His laboratory conducts research funded by DST-SERB, CSIR, DRDO, and international collaborations, including active projects on relaxor ferroelectrics (2020-2023) and organic solar cells (2019-2022). The Advanced Functional Materials Laboratory specializes in materials synthesis (hydrothermal/solid-state), structural characterization (XRD/SEM), and property measurements (ferroelectric/magnetic hysteresis, impedance spectroscopy, piezoelectric coefficient analysis).

Jianqi Xiمشاهده پروفایل

استادیار

• Nuclear Materials
• Fusion Materials
• Radiation Effects
• +۵ مورد دیگر

Jianqi Xi is an Assistant Professor in the Department of Nuclear, Plasma & Radiological Engineering at the University of Illinois Urbana-Champaign, affiliated with The Grainger College of Engineering. His research focuses on nuclear materials, combining multiscale modeling with experimental techniques to understand material degradation under radiation and corrosive environments. He holds a Ph.D. in Materials Science and Engineering from the University of Tennessee-Knoxville (2017). Before joining UIUC, he held postdoctoral and industry positions at the University of Wisconsin-Madison and ThermoFisher Scientific. Research Interests: Fusion Materials Design Radiation-Corrosion Synergy Multiscale Modeling of Microstructure Evolution Data-Driven Materials Innovation Molten Salt Corrosion Recent publications emphasize atomic-scale mechanisms in silicon carbide (SiC) corrosion, radiation damage mitigation, and advanced ceramics design. His work bridges computational simulations with experimental validation to address challenges in nuclear energy systems. Awards include the Joseph E. Spruiell Award (2017) and recognition as an Outstanding Reviewer (2018). He leads the Modeling of Nuclear Materials (MNM) Group , focusing on interdisciplinary approaches to accelerate material discovery for next-generation nuclear reactors. Current openings exist for researchers interested in computational materials science and experimental collaborations.

• Thermodynamics
• Diffusion
• Phase Transformations
• +۳ مورد دیگر

Powder Metallurgy (MH2100) and has expertise in computational materials science. His research emphasizes predictive modeling of material behavior, including precipitation kinetics, sintering processes, and coating interactions. Notable areas include phase field modeling of discontinuous precipitation, spinodal decomposition in Fe-Cr alloys, and high-entropy alloy design. His studies bridge experimental data with computational tools like the YAPFI phase-field framework. Key themes in his publications span cemented carbides, Co-based entropic alloys, and tool wear mechanisms. He combines CALPHAD thermodynamic modeling with first-principles calculations to address challenges in materials processing and corrosion resistance. His work often addresses industrial applications, such as optimizing machining tools and additive-manufactured superalloys.

Jürgen Königمشاهده پروفایل

استاد

• Condensed Matter Physics
• Quantum Transport
• Nanostructures
• +۳ مورد دیگر

Prof. Dr. Jürgen König is a Professor at the University of Duisburg-Essen , contributing to projects within the Collaborative Research Centre 1242. His research focuses on Charge Carrier Dynamics in Nanostructures (Project A02) and Unifying Theoretical Description of Relaxation in Electron Systems (Project B07). Contact details include email: koenig@thp.uni-due.de . Research interests span Condensed Matter Physics , Quantum Transport , Nanostructures , and Electron Dynamics . His work often employs theoretical modeling of quantum systems, with recent publications analyzing phase transitions in 2D Ising systems Floquet engineering in superconductors nonlocal thermoelectric correlations Lee-Yang zero analysis of transport . Articles from 2017-2024 highlight expertise in quantum dot systems , spin dynamics , surface physics , and full counting statistics .

James Chelikowskyمشاهده پروفایل

استاد

• Computational Materials Science
• Quantum Mechanical Simulations
• Magnetic Materials
• +۴ مورد دیگر

James Chelikowsky is Professor and W. A. "Tex" Moncrief, Jr. Chair in Computational Materials at The University of Texas at Austin's Oden Institute for Computational Engineering and Sciences (ICES). His research pioneers quantum mechanical simulations for materials design and discovery across multiple domains. His educational background includes: B.S. in Physics from Kansas State University (1970) Ph.D. in Physics from University of California at Berkeley (1975) Chelikowsky's research spans computational materials science with focus on quantum models for functionalized nanostructures, simulations of liquids and crystal growth, "green magnetism" in dilute magnetic semiconductors, oxide defects, materials informatics, and high-performance electronic structure algorithms. His work bridges theoretical physics with practical materials engineering to solve complex problems in energy and electronics. Analysis of his 2012-2022 publications reveals evolving focus from fundamental quantum simulations toward machine learning integration for magnetic materials discovery, while maintaining strong contributions to two-dimensional materials and interfacial phenomena. Key trends include increased computational complexity and interdisciplinary collaboration with experimental groups. His distinguished honors include: Feynman Prize for Theory (2022) FMD John Bardeen Award (2021) Aneesur Rahman Prize (2013) Multiple society fellowships (MRS, AAAS, APS) Guggenheim Fellowship (1996) As leader of an active research group, Chelikowsky mentors graduate students in computational methods development. While specific grant details aren't provided, his sustained publication record and named chair position indicate substantial ongoing research funding. His group maintains strong industry and national laboratory collaborations evident in co-authorship patterns. The Computational Materials Group operates through ICES with research facilities supporting high-performance computing for materials simulations. Current projects focus on machine learning-guided materials discovery and quantum mechanical modeling of novel electronic materials.

Nick Moseyمشاهده پروفایل

دانشیار

• Computational Chemistry
• Theoretical Chemistry
• Materials Science
• +۷ مورد دیگر

Nick Mosey is an Associate Professor in the Department of Chemistry and Associate Dean (Research) in the Faculty of Arts & Science at Queen’s University. He holds a PhD from the University of Western Ontario and completed postdoctoral research at Princeton University. His research focuses on computational and theoretical chemistry, particularly in developing simulation methods to study chemical reactions under mechanical stress and tribological conditions. Key areas include molecular dynamics, exact exchange calculations in periodic systems, and the design of electrocatalysts for fuel cells. His work integrates method development (e.g., contracted planewave basis functions, temporal QM/MM) with applied studies in tribology (e.g., friction modifiers, lubricants) and electrocatalysis (nickel-based materials for alkaline fuel cells). He has led interdisciplinary projects involving collaborations across chemistry, materials science, and engineering. Awards include the NSERC Doctoral Prize (2007), Early Researcher Award (2009-2014), and leadership in securing funding from NSERC and Ontario government programs. Mosey teaches courses in quantum mechanics and computational chemistry, with a focus on bridging theory and practical applications. His group has produced over 70 peer-reviewed publications and trained numerous graduate students and postdoctoral researchers. Current research emphasizes extending simulation time-scales for reactive systems and exploring novel materials for energy applications.