Liverios Lymperakis is an Associate Professor in the Physics Department at the University of Crete. He earned his BSc (1997) and MSc (2000) in Physics from Aristotle University of Thessaloniki, and PhD from Universität Paderborn (2005) for work at Max Planck Institute. His career includes leadership roles at Max Planck Institutes in Berlin and Düsseldorf (2000-2022) before joining University of Crete in 2022. Research develops first-principles methodologies for nanoscale materials design with emphases on: Surfaces and epitaxial growth of compound semiconductors Quantum wells and nanostructures Extended defects and grain boundaries Computational materials discovery Publications showcase advancements in computational materials science, particularly ab initio modeling of III-Nitride surfaces, defect energetics, and growth mechanisms. Recent work focuses on dislocation physics, surface passivation schemes, and machine learning interatomic potentials for predicting mechanical properties.
Professor Constantia Alexandrou is a distinguished physicist at the Department of Physics, School of Natural and Applied Sciences, University of Cyprus. She leads state-of-the-art research in Lattice Quantum Chromodynamics and hadron structure, heading the Lattice QCD Computational Lab at the university. Professor Alexandrou serves as Chair of the Council of PRACE (Partnership of Advanced Computing in Europe), is a member of multiple prestigious scientific councils including the National Council for Research in Greece and the Helmholtz-Institute Mainz, and represents Cyprus at IUPAP. B.A. in Physics with First Class Honors from University of Oxford (1980) Ph.D. in Theoretical Strong Interactions Physics from MIT (1985) Research positions at Paul Scherer Institute, Switzerland and Erlangen University, Germany Professor Alexandrou's research focuses on Lattice Quantum Chromodynamics, hadron structure, and high-performance computing applications in theoretical physics. Her work bridges fundamental particle physics with advanced computational techniques, particularly in studying nucleon properties and quantum chromodynamics from first principles. She has pioneered methods for calculating parton distribution functions, hadronic vacuum polarization, and nucleon spin decomposition using lattice techniques, contributing significantly to our understanding of strong interaction physics. Her recent work has expanded into quantum computing applications for high-energy physics problems. Analysis of Professor Alexandrou's recent publications reveals a consistent focus on advancing lattice QCD methodologies for calculating fundamental properties of hadrons and nucleons. Her work spans both traditional lattice calculations and emerging quantum computing applications, demonstrating leadership in adapting computational physics to new technological frontiers. The publications show particular emphasis on precision calculations of nucleon structure, hadronic contributions to fundamental constants, and developing non-perturbative methods for quantum field theory. Fellow of the American Physical Society Principal Investigator of three European Joint Doctorates (approximately €3.7 million each) Principal Investigator of Excellence Center Quantum Computing for Science and Technology (QSciTec) under Teaming action (€35 million) Professor Alexandrou has secured approximately €15 million in competitive funding for the Computational-based Science and Technology Research Center of the Cyprus Institute, including two ERA Chair projects of €2.5 million each. She has served as the first Head of the Department of Physics at the University of Cyprus and held leadership positions at the Cyprus Institute from 2004-2022. With over 300 scientific publications and numerous invited talks at international meetings, she has organized several workshops in Cyprus and abroad, significantly contributing to the international lattice QCD community through the Extended Twisted Mass Collaboration (ETMC). She heads the Lattice QCD Computational Lab at the University of Cyprus, which operates dedicated computing clusters for lattice QCD calculations. As a member of the Extended Twisted Mass Collaboration (ETMC) - comprising major European and US research groups - she plays a key role in advancing international collaboration in computational particle physics. Her leadership extends to multiple scientific advisory bodies where she influences research directions in high-performance computing and theoretical physics across Europe.
Gayanath W. Fernando is a Professor in the Department of Physics at the University of Connecticut , where he has been since 1991. His research focuses on condensed matter physics using quantum mechanical principles , particularly in strongly correlated electron systems , high-temperature superconductivity , and topological materials . He has authored a book on Metallic Multilayers and Their Applications (Elsevier, 2008) and is currently working on a new book on Time Dependent Single and Many Electron Systems (World Scientific). Research Interests : Fernando's work explores the electronic, magnetic, and structural properties of materials through first-principles calculations and computational methods. Key areas include Hubbard nanoclusters , perovskites , double-perovskites , and organic charge-transfer salts , with applications in nanomaterials and quantum technology . Publication Trends : His recent articles analyze Mott insulators , magnetic frustration , and thermal expansion properties of perovskites like TiF3, as well as Floquet-driven phases and symmetry-breaking mechanisms in low-dimensional systems. These studies often combine exact diagonalization and statistical mechanics to map phase diagrams and pairing instabilities.
Prof. Shuai Zhigang is a leading academic in theoretical and computational chemistry, holding dual professorships at Tsinghua University and The Chinese University of Hong Kong, Shenzhen. His expertise spans optoelectronic materials, excited-state dynamics, and organic semiconductors. He has held prestigious positions such as Changjiang Scholar Chair Professor and is a Fellow of the Royal Society of Chemistry and Foreign Member of the Academy of Europe. Education: BS in Physics, Zhongshan University (1983) MS in Solid State Physics, Wuhan University & Jinan University (1986) PhD in Theoretical Physics, Fudan University (1989) Research Focus: Excited states decay theory, organic light-emitting diodes (OLEDs), charge/heat transport in organic semiconductors, photovoltaics, and thermoelectrics. His work integrates quantum chemistry and first-principles methods to predict optoelectronic properties of materials. Publications: Over 300 publications, including seminal work on graphene electronic properties, PEDOT thermoelectricity, and aggregation-induced emission phenomena. His research bridges theoretical insights with practical applications in organic electronics. Awards: 2004: Hundred-Talent Program Top 20%, CAS 2004: Outstanding Young Investigator Award, NSFC 2008: Changjiang Scholar Chair Professor 2009: Royal Society of Chemistry Fellowship 2011: Foreign Member, Academy of Europe Grants & Leadership: Led major projects on quantum chemistry methods and served on editorial boards of Acta Chimica Sinica , Journal of Materials Chemistry C , and others. Active in international organizations like IUPAC and WATOC. Labs & Teams: Leads the Shuai Group, focusing on computational studies of organic optoelectronics. Collaborates globally on conferences like the International Congress of Quantum Chemistry.
Feng Gao, Ph.D., is an Assistant Professor in the Department of Computer Science at Southern University and A&M College, affiliated with the High Performance Computing Lab. He holds a Ph.D. in Condensed Matter Physics from Shandong University (2011), an M.S. in Atomic and Molecular Physics from Ludong University (2007), and a B.S. in Physics from Dezhou University (2004). His research focuses on high-pressure/temperature studies of high entropy alloys, non-precious-metal catalysts for fuel cells, and magnetism simulation in materials. Dr. Gao has extensive experience in computational modeling, including first-principles simulations and experimental validation of material properties. He has contributed to over 10 peer-reviewed publications and a patent on carbon nanostructure synthesis. His work bridges computational physics with practical applications in energy and materials science. Professional experience includes roles as a Postdoctoral Research Associate (2011-2014), Full-Time Adjunct Professor (2015-2019), and his current tenure-track position since 2020. His research trends emphasize interdisciplinary approaches to material design, with recent work targeting biomedical applications of high-entropy alloys and catalyst efficiency in fuel cells. Grants and funding details are not explicitly stated, but his publications suggest active engagement in federal or institutional research programs. Dr. Gao collaborates with the Louisiana Optical Network Initiative (LONI) and leads projects in the High Performance Computing Lab, focusing on advanced computational infrastructure for material discovery.
Alper Buldum is a Professor in the Department of Mechanical Engineering at the University of Akron's College of Engineering and Polymer Science. He joined the university in 2001 after completing his BS, MS, and PhD in Physics at Bilkent University, Turkey, followed by postdoctoral research at the North Carolina Center for Nanoscale Materials. He has held visiting scientist roles at IBM Almaden Research Laboratories and Harvard University's Department of Chemistry and Biochemistry. His research focuses on computational materials science, nanomaterials properties, and energy storage applications, supported by NSF and NIH grants. With over 50 publications and an h-index of 23, his work has been highlighted in talks by Nobel laureate Richard Smalley. Education : BS, MS, and PhD in Physics, Bilkent University, Turkey (1993-1998) Postdoctoral Research Associate and Research Assistant Professor, University of North Carolina at Chapel Hill (2001) Research Interests : Dr. Buldum investigates the mechanical, electronic, and transport properties of nanomaterials, including graphene, carbon nanotubes, and nanocomposites. His work addresses nanotribology, energy storage systems (e.g., lithium batteries), and molecular modeling of argyrodite electrolytes. He employs computational methods like first-principles calculations and molecular dynamics simulations to explore these phenomena. Grants & Contributions : His research has been funded by NSF and NIH grants. His studies on graphene-lithium interactions and nanotube heterostructures have advanced understanding of energy storage mechanisms. Collaborations with industry and academia (e.g., IBM, Harvard) enhance his experimental validation capabilities. Labs & Teams : While no specific lab name is mentioned, his work aligns with nanotechnology and materials science groups at the University of Akron. His interdisciplinary approach bridges physics, chemistry, and engineering disciplines.
Peihong Zhang is a Professor in the Department of Physics at the University at Buffalo, SUNY. He holds a PhD in Condensed Matter Physics from Pennsylvania State University (2001) and has held academic positions since 2005, advancing from Assistant Professor (2005-2011) to Associate Professor (2011-2016) before becoming a full Professor in 2016. His research focuses on computational materials design, ab initio electronic structure calculations, and the study of nanostructured materials. Key areas include quasiparticle properties, excitonic effects, and phase transitions in 2D materials. He has contributed to the development of efficient GW methods for large-scale simulations and has explored applications in energy materials, optoelectronics, and defect physics. Education : B.S., Physics, Xiamen University, China (1993) M.S., Atomic & Molecular Physics, Institute of Physics, Chinese Academy of Sciences (1996) Ph.D., Condensed Matter Physics, Pennsylvania State University (2001) Ph.D. minor, High-Performance Computing, Penn State (2001) Research Interests : Zhang’s work integrates theoretical and computational methods to predict and design novel materials. His team investigates electronic and structural properties using advanced techniques like GW approximations and LSDA+U methods, with applications to semiconductors, MXenes, and layered materials. Recent studies highlight excitonic effects in monolayers (e.g., C₃N and C₃B), strain-induced phase transitions in SnSe, and machine-learning approaches to materials discovery. His research emphasizes bridging fundamental theory with practical applications in energy and optoelectronics. Awards & Honors : NSF CAREER Award (2010) American Chemical Society Doctoral New Investigator Award (2009) Xerox Award for Outstanding PhD Thesis in Materials (2001) Grants & Collaborations : Zhang has received funding from NSF, DOE, and the Petroleum Research Fund. His collaborations include projects on materials informatics, thermoelectric materials, and defect engineering. His lab actively contributes to open-source computational tools for electronic structure analysis. Labs & Teams : Zhang leads a research group focused on computational materials science. His team’s work is housed in the Department of Physics at UB, with affiliations to the RENEW Institute and the Center for Materials Informatics.
William Gerard Hubert Vandenberghe is an Associate Professor at the University of Texas at Dallas (UT Dallas) since 2021. He holds affiliations in the Materials Science & Engineering Department, the Department of Electrical and Computer Engineering, and the Department of Physics within the Erik Jonsson School of Engineering and Computer Science. His research focuses on explaining and designing nanoscale electronic devices using quantum mechanics-based computational methods. Key research areas include theoretical and computational nanoelectronics, quantum transport, semiconductor device simulations, and two-dimensional materials. Education: He earned a Ph.D. in Engineering from KU Leuven in 2012. Research Interests: Vandenberghe’s group investigates novel materials (e.g., conventional semiconductors, 2D materials, topological insulators, layered magnets) and devices (e.g., transistors, solar cells). They develop open-source software and use commercial codes for simulations. Current projects address power electronics, photovoltaics, and nanoelectronics. Recent work includes studies on SiC MOSFETs, diamond phonon spectra, and van der Waals dielectrics for 2D electronics. Publications: His recent articles span Bayesian optimization for semiconductor devices, quantum transport in 2D materials, and defect analysis in catalytic surfaces. These contributions highlight advancements in device design, material characterization, and computational methods. Awards: He has received the Young Investigator Award from the Defense Threat Reduction Agency (2017) and the Research Council Award from KU Leuven (2014). Advising & Collaboration: He has advised students like Kolade Oyekan and Aaron Kramer. Collaborations with industrial partners drive applied research in nanoelectronics and power systems. Labs/Teams: His research group emphasizes interdisciplinary work, combining theory, computation, and experimental insights through partnerships with industry and academic institutions.
Dr. Zeila Zanolli is a Full Professor of 'Theory and Simulation of Quantum Materials' at Utrecht University's Chemistry Department and the Debye Institute for Nanomaterials Science. Her research focuses on first-principles modelling of quantum materials, topological matter, superconductivity, and spintronics. She specializes in Density Functional Theory (DFT), many-body techniques, and quantum transport simulations. Key affiliations include the Condensed Matter and Interfaces group (Ornstein Laboratory), European Theoretical Spectroscopy Facility (Deputy Chair), and advisory boards for Science4Sustainability and the Dutch Chemistry Council. She is a Fellow of the Young Academy of Europe (2018–24). Research interests span topological insulators, 2D materials (e.g., graphene, TMDs), nanomaterials, and quantum transport phenomena. Her work integrates computational methods like GW/Bethe-Salpeter Equation for excitonic physics and Non-Equilibrium Green’s Function techniques for time-dependent simulations. Notable contributions include studies on heterostructures, twisted moiré materials, and gas sensing with carbon nanotubes. She leads interdisciplinary projects at the interface of theoretical physics, chemistry, and materials science.
Massimo Fischetti holds the Texas Instruments Distinguished Chair in Nanoelectronics as a Professor of Materials Science & Engineering at the University of Texas at Dallas (UTD), affiliated with the Erik Jonsson School of Engineering and Computer Science. He earned a PhD in Physics from the University of California, Santa Barbara (1978) and a Laurea in Physics from the University of Milan (1974). His research focuses on theoretical studies of electronic transport in semiconductors, nanoelectronics, and novel two-dimensional materials like graphene, transition metal dichalcogenides, and silicene. Key interests include carrier mobility, quantum effects, phonon scattering, and device simulation for next-generation nanoelectronics. Publications span topics such as phonon confinement in nanowires, contact resistance in 2D materials, and first-principles modeling of semiconductor properties. His work bridges computational physics with practical device applications, addressing challenges in scaling and performance limits of modern transistors. Awards and recognitions include his endowed chair funded by Texas Instruments, reflecting his impact on nanotechnology research.
Prof. Krzysztof Parlinski is a distinguished physicist at the Institute of Nuclear Physics, Polish Academy of Sciences , renowned for pioneering ab initio studies of crystal lattice dynamics , phase transitions , and phonon dispersion . His work spans materials like ZrO2 , GaN , LiNbO3 , and NiTi , with applications in optoelectronics , solar cells , and magnetite . He developed the PHONON software, a critical tool for calculating phonon density of states and vibrational properties . His research explores topological defects in incommensurate phases , domain structures in ferroelastics , and neutron scattering in crystalline materials . He has published extensively on quasicrystals , molecular crystals , and high-Tc superconductors , often using group theory to analyze structural phase transitions . His 15 most recent articles focus on nanostructured materials , spin-phonon coupling , and anharmonic lattice dynamics , with applications in electronics and energy systems . Scientific Awards : Maria Sklodowska-Curie Award (2005) for contributions to ab initio phonon calculations and solid-state physics . His PHONON software, described in publications and conference proceedings, enables phonon dispersion analysis for systems from bulk crystals to supercells , validated against neutron scattering and Raman data . Collaborations include work on Fe monolayers , quasi-1D systems , and high-pressure materials .
Jan Łażewski is a Researcher at the Institute of Nuclear Physics of the Polish Academy of Sciences. His work focuses on ab initio calculations for structural, electronic, dynamic, and elastic properties of crystals , with particular emphasis on phase transitions and magnetic materials . He has been involved in projects related to Nanoalloys Semiconductor materials High-pressure mineral physics Surface and interface dynamics Thermoelectric properties His scientific awards include the Henryk Niewodniczański Scientific Award (2004) and multiple Awards of the Director of the Institute of Nuclear Physics of the Polish Academy of Sciences (2005, 2006, 2007) . He has contributed to research highlights such as Phonons at iron surfaces and Magnetostructural phase transition in MnAs . His collaborative projects span EU Framework Programme initiatives like Crust to core – fate of the subducted material and Dynamics in Nano-scale Materials Studied with Synchrotron Radiation , as well as national projects on semiconductor technology and catalytic materials . His work frequently appears in journals like Physical Review B , Journal of Physics: Condensed Matter , and Acta Physica Polonica .
Ion Errea Lope is an Associate Professor at the University of the Basque Country (UPV/EHU) and a DIPC Associate. His research focuses on developing and applying first-principles quantum mechanical methods to understand and predict materials properties, particularly in hydrogen-based superconductors , charge-density wave (CDW) phase transitions , and phonon polaritons . He leads the ERC Starting Grant project SuperH , aiming to discover high-temperature superconductors. Research lines : New ab initio methods, Hydrogen-based superconductors, Phase transitions in functional materials, Phonon polaritons and polarons Key tools : Stochastic Self-Consistent Harmonic Approximation (SSCHA) code The group's recent publications highlight advances in quantum anharmonicity effects on superconductivity, CDW melting in kagome metals, and topological surface states in superconducting compounds. Collaborations span institutions like Nature Materials , Physical Review B , and international research centers. Scientific awards : ERC Starting Grant (SuperH) Team leadership : Mentors PhD students and postdocs in projects involving computational methods and high-pressure material studies Ion's group is affiliated with the Department of Applied Physics and Materials Physics Center at UPV/EHU, with active research in quantum lattice dynamics and non-perturbative anharmonic effects .
Valery I. Levitas is the Anson Marston Distinguished Professor in Engineering and Murray Harpole Chair at Iowa State University (ISU), with appointments in Aerospace Engineering, Mechanical Engineering, and Materials Science and Engineering. He is also a Faculty Scientist at Ames National Laboratory. A Fellow of ASME and IAAM, his work bridges mechanics, physics, and material science, focusing on phase transformations, high-pressure mechanochemistry, and multiscale modeling. Education: Dr.-Eng. habil (Continuum Mechanics, University of Hannover, 1995); Sci. Dr. (Continuum Mechanics, Institute for Electronic Machine-building, 1988); PhD (Materials Science, Institute for Superhard Materials, 1981); MS (Mechanical Engineering, Kiev Polytechnic Institute, 1978). His research interests include high-pressure phase transformations under severe plastic deformation, virtual melting as a mechanism for stress relaxation, and phase field approaches to modeling dislocations, fracture, and coupled mechanochemical phenomena. He pioneered theoretical high-pressure mechanochemistry and discovered novel effects like pressure self-focusing and rotational plastic instability for superhard material synthesis. The 15 most recent articles analyze topics such as stress/strain-induced phase changes in silicon and zirconium, deep-focus earthquake mechanisms, and multiscale simulations of nanograin materials. These works emphasize high-pressure physics , nanomechanics , and computational material science using phase field, molecular dynamics, and DFT methods. Scientific awards include the 2023 European Academy of Sciences and Arts election, 2023 IAAM Fellowship, 2017 Khan International Medal for plasticity contributions, and 2007 ASME Fellowship. He has secured $14.9M in grants (including 24 federal awards) for projects on high-pressure material behavior, phase transformations, and synchrotron experiments. His lab at Iowa State collaborates with leading institutions and has produced 15+ PhD/postdoc alumni, including Mahdi Javanbakht (Isfahan University), Hao Chen (East China University), and Krishan Kumar Pandey (Bhabha Atomic Research Center). Research integrates atomistic to macroscale modeling with experimental validation via rotational diamond anvil cells.
Johan Klarbring is a researcher in the Department of Physics, Chemistry and Biology at Linköping University, within the Faculty of Science & Engineering. His work is centered on theoretical and computational materials science, particularly focusing on complex atomic dynamics in functional materials. His research interests include: Anharmonicity in crystalline solids Phase transformations in perovskites Ion conduction in solid electrolytes Thermochromic and optoelectronic properties of lead-free perovskites Machine learning force fields for molecular dynamics First-principles modeling of dynamically disordered systems His recent publications (2022–2024) reveal a strong focus on halide perovskites and double perovskites, examining phenomena such as thermochromism, antiferromagnetic coupling, and fast ion conduction. He employs advanced computational techniques, including machine learning-accelerated molecular dynamics and ab initio methods, to uncover atomic-scale mechanisms behind macroscopic material properties. His work bridges fundamental physics with applications in energy materials, solid-state batteries, and optoelectronics. Notable scientific contributions include: Development of models for Na vacancy-driven phase stabilization in sodium ion conductors Elucidation of electron-phonon coupling as the origin of thermochromism in Cs2NaFeCl6 Analysis of diverging anharmonic behaviors in lead-based vs. lead-free perovskites Application of the TDEP method to study temperature-dependent effective potentials Investigation of ionic conductivity in doped ceria using nonequilibrium molecular dynamics Klarbring completed his doctoral thesis in 2020 titled A First-Principles Study of Highly Anharmonic and Dynamically Disordered Solids , which laid the foundation for his current research. He has collaborated with prominent researchers and institutions, and his work is supported by major funding agencies such as the Swedish Research Council, Knut and Alice Wallenberg Foundation, and the European Research Council. He is actively involved in developing and applying cutting-edge computational methodologies to address challenges in materials science. He is affiliated with the Theoretical Physics division at Linköping University and contributes to open-source scientific software development, as evidenced by his involvement in the TDEP package. There is no mention of advising students or teaching responsibilities in the provided text.
