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Sam AzadiView profile

Researcher

• Fermionic systems
• Quantum phase diagram
• Materials under extreme condition
• +3 more

Sam Azadi is a researcher at the University of Oxford affiliated with the Oxford Centre for High Energy Density Science (OxCHEDS) and the Atomic and Laser Physics department. His email is sam.azadi@physics.ox.ac.uk . Dr. Azadi focuses on theoretical and computational studies of many-body interactions in Fermionic systems and quantum-driven phenomena under high energy density conditions, employing methods like: Stochastic approaches in real-space and Hilbert-space Many-body perturbation theory (GW approximation) Density functional methods His research interests include: Fermionic systems Quantum phase diagrams Materials under extreme conditions High energy density science Quantum materials Selected publications highlight his work on quantum Monte Carlo simulations, many-body theory for electron gases, and computational physics techniques. He contributes to advancements in quantum phase transitions, correlated electron systems, and thermodynamic limit phenomena. Dr. Azadi is part of the Oxford Centre for High Energy Density Science (OxCHEDS) , advancing studies in quantum materials and laser-based high energy density research.

Jiří KlimešView profile

Associate Professor

• Quantum Chemistry
• Computational Materials Science
• Non-covalent Interactions
• +7 more

Jiří Klimeš is an Associate Professor at the Faculty of Mathematics and Physics , Charles University , Prague, where he leads the APES group in the Department of Chemical Physics and Optics . He is the Principal Investigator of the ERC-funded project APES: Accuracy and precision for molecular solids . His expertise lies at the intersection of quantum chemistry, materials science, and computational physics. Education & Career: PhD in Theoretical Chemistry, University College London (UCL) , with Prof. Angelos Michaelides Post-doctoral research, University of Vienna , with Prof. Georg Kresse Marie Skłodowska-Curie Fellow, Heyrovsky Institute of Physical Chemistry , Prague Research Interests: Development of highly-accurate, low-scaling quantum-chemical methods (RPA, GW, MP2) Non-covalent interactions and van der Waals forces in molecular solids, surfaces, and confined systems Crystal-structure prediction and polymorphism of molecular crystals Adsorption on porous and layered materials (zeolites, graphene, TMDCs) Phase transitions and freezing of confined water Machine-learned potentials for molecular interactions Scientific Awards & Funding: European Research Council (ERC) Starting Grant APES (2020–2025) Marie Skłodowska-Curie Individual Fellowship, European Commission Supervision & Teaching: Current PhD students: Kyrylo Prokofiev, Pham Ngoc Khanh Former PhD student: Jaroslav Hofierka (MSc 2017 → PhD 2019) Post-doctoral researchers: Dr. Sirous Yourdkhani (current), Dr. Marcin M. Modrzejewski, Dr. Lu Ding (former) Lecture courses: Ab-initio methods for periodic systems , Introduction to quantum mechanics , Basics of quantum mechanics tutorials Labs & Facilities: The APES group operates a dedicated high-performance computing cluster funded by the ERC project, enabling routine RPA and GW calculations on systems with hundreds of atoms.

Gabriel BesterView profile

Professor

• Theoretical Physics
• Semiconductor Nanostructures
• Quantum Dots
• +5 more

Gabriel Bester is a Professor at the University of Hamburg , affiliated with the School of Mathematics and Natural Sciences and the Department of Chemistry . His research focuses on theoretical physics of semiconductor nanostructures , particularly quantum dots , excitonic processes , and spintronics . Ph.D. from Max Planck Institute for Metals Research 7 years at National Renewable Energy Lab (NREL) Independent group at Max Planck Institute for Solid State Research (2007–2014) His research interests span numerical methods for nanoscopic systems , excited state properties , and molecular spintronics . Key areas include exciton-phonon coupling , dielectric confinement , and quantum dot optical properties . The 15 most recent publications (2024–2023) highlight studies on quantum dots , transition metal dichalcogenides , and spin coupling mechanisms . Articles explore GW calculations , ligand-induced symmetry breaking , and phonon-assisted processes . Current PhD students in his group include Shubham Agarwal, Hanh Bui, Surender Kumar, and others. Collaborations involve institutions like Max Planck Society, NREL, and ERC projects.

Alexander LichtensteinView profile

Professor

• Theory of magnetism
• Strongly correlated electron systems
• DFT + DMFT
• +6 more

Prof. Dr. Alexander Lichtenstein is a full Professor at the University of Hamburg , where he leads the Theory of Magnetism and Electronic Correlations research group at the I. Institute for Theoretical Physics , Faculty of Mathematics, Informatics and Natural Sciences . Since 2004 he has held a permanent W3 professorship (Universitätsprofessor) and is an active principal investigator in several major collaborative grants. Education & Career Leading research group on theory of magnetism and electronic correlations, University of Hamburg (2004–present) Principal investigator of ERC Synergy Grant “FASTCORR” (2020–2026) Co-spokesperson of SFB 925 “Light-induced dynamics and control of correlated quantum systems” (2011–2023) Research Interests Prof. Lichtenstein’s research integrates ab-initio electronic-structure methods with advanced many-body techniques to study strongly correlated d- and f-electron systems. His group develops and applies continuous-time quantum Monte-Carlo algorithms , DFT+DMFT and LDA+U schemes, and dual-fermion perturbation theory to investigate exchange interactions, magnetism, superconductivity, and non-local correlation effects in low-dimensional quantum materials. Scientific Awards Ernst Mach Medal (2015) Max-Born Prize (2014) Intel/Rusnano High-Performance Computing Prize (2008) State Prize of Russia in Science and Technology (1995) State Prize for Young Scientists (1988) Grants & Projects “FASTCORR – Ultrafast dynamics of correlated electrons in solids” (ERC Synergy Grant, 2020–2026) “Correlation effects in adiabatic spin dynamics” (DFG, 2022–2025) “Graphene-based disruptive technologies – GrapheneCore1” (EU Graphene Flagship, 2016–2018) SFB 925: Light-induced dynamics and control of correlated quantum systems (Collaborative Research Center, 2011–2023) Research Group & Facilities Prof. Lichtenstein heads the Theory of Magnetism and Electronic Correlations group located at Notkestraße 9–11, 22607 Hamburg . The team comprises post-doctoral researchers, doctoral students, and visiting scientists working on high-performance computing clusters to solve multiorbital quantum impurity problems and large-scale DFT+DMFT simulations.

Georg KresseView profile

Professor

• Theoretical Solid State Physics
• Surface Sciences
• Computational Materials Physics
• +5 more

Georg Kresse is a full Professor of Computational Quantum Mechanics at the University of Vienna's Faculty of Physics, leading the Computational Materials Physics group. He developed the Vienna ab initio Simulation Package (VASP), a globally dominant tool for quantum mechanical materials simulations. His research spans theoretical solid-state physics, surface science, and computational materials physics, with recent emphasis on machine learning integration and advanced electronic structure methods. Born in Vienna (1967), habilitated in condensed matter theory Full member of Austrian Academy of Sciences and International Academy of Quantum Molecular Science Recipient of START Grant (2003), Kardinal-Innitzer-Preis (2016), honorary doctorate from Lund (2022) Research focuses include: Density Functional Theory : Development of advanced functionals (hybrid, GW, RPA) Machine Learning : Applications to materials properties and force fields Quantum Monte Carlo : AFQMC methods for solids Surface Physics : Oxidation reactions and catalytic processes His publications show strong representation in: Quantum mechanical simulations Electronic and optical properties Phase transitions and thermodynamics Energy materials and nanotechnology Major projects include: MECS : Materials for Energy Conversion and Storage (2023-2028) TACO : Taming Complexity in Materials Modeling (2021-2029) DCAFM : Doctoral College Advanced Functional Materials (2020-2025) His group maintains VASP, combining first-principles methods with machine learning to advance materials science understanding.

• Condensed Matter Theory
• Materials Science
• Computational Physics
• +4 more

Walter R. L. Lambrecht serves as the Perkins Professor of Physics in the Department of Physics at Case Western Reserve University's College of Arts and Sciences, specializing in first-principles condensed matter theory and computational materials science. His academic credentials include: Lic. Sc. from the University of Gent (1977) Dr. Sc. from the University of Gent (1980) Dr. Lambrecht's research centers on reducing material properties to electronic structure through quantum mechanics and statistical mechanics. He applies density functional theory (DFT) and many-body perturbation theory (MBPT) to investigate semiconductor nitrides, halide perovskites for photovoltaics, layered 2D materials (MoS 2 , V 2 O 5 ), oxide interfaces, point defects, rare-earth compounds, and semiconductor nanowires. His group develops computational tools including the linearized muffin-tin orbital method and GW approximation, collaborating closely with experimentalists to solve material puzzles and predict new properties. Analysis of his 2007-2015 publications reveals consistent focus on computational modeling of novel materials, particularly using GW methods for electronic structure calculations. Key trends include exploration of 2D systems' dimensionality effects, halide perovskites' photovoltaic mechanisms, and defect physics in semiconductors, demonstrating strong theory-experiment integration across diverse material classes. His work has received recognition through multiple Editor's Suggestion designations in Physical Review B for high-impact publications. Dr. Lambrecht leads the active Lambrecht Research Group and has secured research funding including an NSF World Materials Network grant for rare-earth nitride studies in collaboration with Victoria University of Wellington. He maintains significant computational collaborations, particularly with Mark van Schilfgaarde at Arizona State University for code development and implementation of advanced methods like quasiparticle self-consistent GW. The research group utilizes specialized computational frameworks including the full-potential linearized muffin-tin orbital method and density functional perturbation theory (ABINIT code), with ongoing development of tools for strongly correlated systems and complex material interfaces.

Timothy BerkelbachView profile

Associate Professor

• Quantum Chemistry
• Materials Science
• Computational Physics
• +6 more

Timothy Berkelbach is an Associate Professor in the Department of Chemistry at Columbia University and a Research Scientist at the Flatiron Institute's Center for Computational Quantum Physics. He holds a B.A. from New York University (2009) and a Ph.D. from Columbia University (2014), followed by a postdoctoral fellowship at Princeton University (2014–2016). His research focuses on developing and applying computational methods in quantum chemistry and materials science, particularly excited states and spectroscopy. He has received prestigious awards including the AFOSR Young Investigator Award, Sloan Fellowship, NSF CAREER Award, and PECASE. His work bridges theoretical chemistry and computational physics, with applications to plasmons, excitons, and electronic structure in materials. Berkelbach’s contributions include advancements in coupled-cluster theory, GW/BSE methods, and software like PySCF. His research explores phenomena such as anharmonic vibrations in clathrates, plasmon-exciton coupling, and superconductivity in cuprates. He also investigates quantum transport in organic crystals and catalytic effects of electric fields. Education: B.A., NYU (2009); Ph.D., Columbia University (2014) Labs/Teams: Center for Computational Quantum Physics (Flatiron Institute), Columbia Chemistry Department Grants: NSF CAREER Award, AFOSR funding

Subhasish MandalView profile

Assistant Professor

• Quantum Condensed Matter Physics
• High-Temperature Superconductors
• Topological Insulators
• +3 more

Subhasish Mandal is an Assistant Professor in the Department of Physics & Astronomy at West Virginia University. His research focuses on theoretical and computational aspects of quantum condensed matter physics, particularly in studying strongly correlated materials such as high-temperature superconductors, topological insulators, and Mott insulators. He employs advanced methods like GW approximation and dynamical mean-field theory (DMFT) to predict electronic, optical, and magnetic properties. His work emphasizes accelerating materials discovery through AI integration. Mandal holds a Ph.D. from Michigan Technological University (2012) and an M.Sc. from IIT Madras (2007), with postdoctoral stints at Rutgers University and Yale University. His research group, the Computational Quantum Materials Group, develops open-source databases for correlated materials using beyond-density-functional-theory (DFT) methods. Key projects include exploring superconductivity in FeSe/SrTiO3 systems and engineering topological properties via surface terminations. Recent work highlights light-driven lattice metastability and magic-angle effects in 2D materials. Publications span topics like electron-phonon coupling, topological superconductors, and high-throughput material screening. Mandal collaborates with institutions like NIST and utilizes scalable computational tools like OpenAtom.

Sylvia BintrimView profile

Researcher

• Computational Chemistry
• Quantum Chemistry
• Theoretical Chemistry
• +3 more

Sylvia Bintrim is a Researcher in the Department of Chemistry, specializing in computational and theoretical chemistry. Her research focuses on electronic structure methods and materials science, with particular expertise in excited state methods, the GW approximation, Bethe-Salpeter equation, and magnetism in layered materials. She explores topics such as static correlation in coupled-cluster approaches, density fitting for periodic systems, and double excitations in dynamical equations. Her work bridges theoretical chemistry and condensed matter physics, addressing challenges in large molecules and nanomaterials. Her contributions include advancements in simplified computational frameworks for electronic structure calculations and the application of integral-direct methods to benzene crystals. No academic awards or grants are explicitly mentioned in the provided materials. She currently holds no listed advisees but contributes to cutting-edge research in electronic structure theory. Sylvia's affiliations include the Department of Chemistry, though the overarching university name is unspecified.

Arno FörsterView profile

Assistant Professor

• Theoretical Chemistry
• Computational Materials Science
• Quantum Chemistry
• +3 more

Arno Förster is an Assistant Professor at the Vrije Universiteit Amsterdam (VU) within the Faculty of Science, Department of Chemistry and Pharmaceutical Sciences. He is also affiliated with the Amsterdam Institute for Materials and Molecular Systems (AIMMS). His research focuses on electronic structure theory, particularly applying many-body perturbation theory (MBPT) and GW approximation methods to study quasiparticle properties, self-energy corrections, and molecular electronic excitations. He contributes to the development of the Amsterdam Modeling Suite (AMS), a computational chemistry software platform. Key research areas include: GW approximation and vertex corrections for accurate quasiparticle energies Electronic structure calculations using Slater-type orbitals Development of low-scaling algorithms for large-scale systems Sigma-functionals and basis set requirements for correlated wavefunctions Recent work explores the cancellation mechanisms of vertex corrections in GW methods and benchmarks dynamic self-energy models. He has co-authored over 18 peer-reviewed articles, including foundational contributions to the Amsterdam Modeling Suite and studies on charged excitations in finite systems. Teaching responsibilities include courses on Mathematics for Computational Chemistry and Quantum Mechanics for Chemists . He previously served as a Project Researcher in the Smarter Software for Advanced Material Design initiative (2018–2022), advancing computational tools for materials discovery.

• 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.

• Theoretical Physics
• Materials Science
• Nanotechnology
• +5 more

Ivan MARRI is an Associate Professor at the University of Modena and Reggio Emilia, affiliated with the Department of Engineering Sciences and Methods. His research focuses on theoretical physics, materials science, and computational chemistry, with a strong emphasis on nanocrystals and low-dimensional systems. He investigates the electronic and optical properties of silicon, germanium, and their alloys, exploring applications in photovoltaics and optoelectronics. His work leverages ab initio calculations and density functional theory to study quantum confinement effects, carrier dynamics, and surface chemistry. Dr. Marri teaches courses in High Performance Computing for Advanced Physical Analysis, Physics II, and Physics of Bodies, emphasizing numerical methods, parallel computing, and fundamental physics principles. His research spans topics such as carrier multiplication in silicon nanocrystals, strain effects in GeSi core-shell systems, and work function modulation in semiconductor surfaces. His publications highlight contributions to understanding nanocrystal interactions, exciton dynamics, and the role of surface functionalization in material properties. While no specific awards are listed, his extensive body of work reflects a deep engagement with theoretical and computational materials science.

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

Valentina DE RENZI is an Associate Professor in the Department of Physical, Computer and Mathematical Sciences at the University of Modena and Reggio Emilia. She holds affiliations with the SESAMO Laboratory and teaches advanced physics courses including "Physics Laboratory II" and "Spectroscopy". Her research focuses on nanomaterials characterization, particularly graphene and molecular magnets, employing advanced spectroscopic techniques like photoemission and electron energy-loss spectroscopy. Research areas include nanoribbon edge structures, interfacial magnetism, and energy materials for solar cells. She has contributed to over 50 peer-reviewed articles since 1993, with recent work emphasizing graphene functionalization, molecular spintronics, and educational methods for physics concepts. Teaching innovations include interdisciplinary friction studies using bio-inspired materials. Professional activities include ORCID: 0000-0001-6458-9246. Research interests span condensed matter physics, nanotechnology, and surface science. Key projects involve graphene-based systems, single-molecule magnets, and spectroscopic analysis of materials interfaces. Educational contributions emphasize hands-on experimentation with nanostructured materials, linking microscopic phenomena to macroscopic properties. Grants and collaborations include studies on nanoribbon synthesis, optoelectronic device integration, and advanced deposition techniques for energy applications. Laboratory activities include the SESAMO Lab where she investigates material properties at atomic scales. Current work explores hydrogenation effects in graphene, potassium-doped electronic structures, and Au-intercalated magnetic systems. Teaching emphasizes experimental rigor with laboratory modules on electrical measurement techniques and spectroscopic interpretation.

Matt HodgsonView profile

Lecturer

• Quantum Mechanics
• Computational Physics
• Condensed Matter Physics
• +3 more

Matt Hodgson is a Lecturer at the University of York's School of Physics, Engineering and Technology, specializing in theoretical and computational physics. With a PhD in Physics (2016) and prior roles at Durham University (2019-2021) and Max Planck Institute (2016-2019), he focuses on advancing quantum theory applications for electron excitation properties in materials. His research bridges fundamental Density Functional Theory (DFT) developments with many-body quantum mechanics , particularly through his creation of the iDEA code for exact solutions in 1D systems. Key contributions include clarifying exchange-correlation potential behavior, resolving self-screening errors in GW approximations, and integrating machine learning techniques for non-analytic energy discontinuities. Pioneered DFT methods for excited state calculations Developed nearsighted effective potential for molecular junctions Explored electron localization in time-dependent systems Scientific recognition includes the K. M. Stott Prize for his PhD work. Teaching responsibilities span advanced theoretical techniques and computational labs, with leadership roles in academic misconduct panels and careers coordination . External activities include EPSRC Peer Review College membership and contributions to the European Theoretical Spectroscopy Facility .

• Materials Science
• Catalysis
• Nanotechnology
• +3 more

Jin Chen is an Associate Research Scientist at the Yale School of Medicine and holds an Associate Professor position at Huazhong University of Science and Technology. He specializes in surgical education and training, with clinical roles including Deputy Chief Physician and Doctor-in-Charge at Tongji Hospital. His academic journey includes a PhD and MD from Huazhong University, alongside a visiting scholar stint at the University of Kentucky. Dr. Chen’s research focuses on advanced materials science, catalysis, and nanotechnology, with notable contributions to 2D materials, electrochemical processes, and MXene-based systems. His work bridges theoretical simulations and practical applications, addressing challenges in energy conversion and environmental sustainability. Education includes a PhD and MD in Otolaryngology-Head and Neck Surgery (Huazhong University, 2013), an MS in the same field (2010), and an MD in Clinical Medicine from Wuhan University (2007). He has received awards such as the Honor Graduate Student/Postdoctoral Fellow Travel Award and an International Award from the Association for Research in Otolaryngology. His research interests span catalytic mechanisms for CO2 reduction, nanomaterial growth dynamics, and computational modeling of materials. Recent publications highlight innovations in single-atom catalysts, graphene applications, and MXene superconductors. Dr. Chen’s contributions are pivotal in advancing nanotechnology’s role in energy and environmental solutions. Awards: Travel Award (2013), International Research Recognition (2013). Grants & Funding: Details not explicitly provided in text. Labs/Teams: Affiliated with surgical education teams at Yale and research groups at Tongji Hospital, though specific lab names are not mentioned.