جستجوی استاد راهنمای دانشگاهی

Elisa Palacino Gonzálezمشاهده پروفایل

پژوهشگر ارشد

• Condensed Matter Physics
• Quantum Chemistry
• Nonlinear Optics
• +۳ مورد دیگر

Elisa Palacino González is a Marie-Curie (MSCA-IF) Postdoctoral Fellow at the University of Groningen, affiliated with the Theory of Condensed Matter Group and Theoretical Chemistry Group within the Zernike Institute for Advanced Materials. She holds a PhD in Theoretical Chemistry from the Technical University of Munich (TUM) and completed her Masters and Bachelors in Chemistry at Universidad de Extremadura, Spain. Her research focuses on computational spectroscopy, time-resolved nonlinear spectroscopies, nonadiabatic quantum dynamics, and first-principles modeling. She leads projects including the EU-funded 'REPAMPS' initiative and a postdoctoral project on coherent control using time-resolved spectroscopy. She also coordinates the Nonlinear Optics course for the Master’s program, emphasizing teaching strategy development and student assessment. Her work bridges theory and experiment, with collaborations at the University of Groningen. Education: PhD (Theoretical Chemistry, TUM, 2019), MSc/BSc (Chemistry, Universidad de Extremadura, 2013) Awards: Marie Skłodowska-Curie Individual Fellowship (2021-2023) Research Themes: Nonlinear optics, quantum dynamics simulations, pulse-shaping techniques, and photovoltaic material modeling

Angelo Bongiornoمشاهده پروفایل

دانشیار

• Materials Science
• Computational Chemistry
• Condensed Matter Physics
• +۳ مورد دیگر

Angelo Bongiorno is an Associate Professor of Chemistry at the College of Staten Island, CUNY, since 2015. Previously, he held faculty positions at Georgia Tech’s School of Chemistry and Biochemistry (2008–2014) and School of Physics (2014–2015). He earned a B.S. and M.S. in Physics from the University of Milan (Italy) and a Ph.D. in Physics from the École Polytechnique Fédérale de Lausanne (Switzerland). His research focuses on computational and theoretical studies of materials, particularly 2D materials like graphene, defects in solids, elastic properties, and energy-related applications. Educations: B.S. Physics, University of Milan, 1995 M.S. Materials Science, University of Milan, 1995 Ph.D. Physics, École Polytechnique Fédérale de Lausanne, 2003 Research Interests: Dr. Bongiorno applies density functional theory (DFT) to investigate materials under extreme conditions, such as graphene-based ultra-hard carbon films, elastic coupling in layered systems, and proton transport in solid-oxide fuel cells. His work bridges computational chemistry, solid-state physics, and nanotechnology, with applications in energy storage and nanomaterials. Articles: His most recent publications (2020–2024) explore nonlinear elasticity of amorphous materials, oxygen activation in enzymes, and mechanical properties of 2D boron nitride under pressure. These studies highlight his expertise in interdisciplinary material science. Labs/Teams: Active collaborations span computational modeling and experimental validation of material properties, often involving international teams in Europe and the U.S.

• Theoretical and Computational Chemistry
• Heterogeneous Catalysis
• Electrocatalysis
• +۹ مورد دیگر

Karsten Reuter is a prominent theoretical and computational chemist with a vast publication record in catalysis, materials science, and surface chemistry. His research is centered on the development and application of first-principles methods, particularly density functional theory (DFT), ab initio thermodynamics, and microkinetic modeling, to understand and predict the behavior of heterogeneous and electrocatalysts. He has made significant contributions to the computational screening of materials for energy applications such as CO₂ reduction, hydrogen evolution, and oxygen evolution reactions. His work often bridges fundamental quantum chemistry with practical catalytic performance metrics. His research interests span a wide range of topics including heterogeneous catalysis , electrocatalysis , surface science , nanomaterials , and machine learning in chemistry . He has pioneered approaches combining machine learning with physical models to accelerate catalyst discovery and has deepened the understanding of catalyst stability under operational conditions. His work on charge transport in molecular materials also extends into organic electronics. The publication trends in his recent work highlight a strong focus on computational catalyst design , ab initio thermodynamics , and advanced simulation techniques for electrified interfaces. He frequently employs and develops methods such as compressed sensing, DFT+U, and implicit solvation models to address challenges in accuracy and scalability. Karsten Reuter collaborates with several leading researchers in the field, including Mie Andersen, Harald Oberhofer, and Johannes Margraf. His publications appear consistently in high-impact journals such as ACS Catalysis , Journal of the American Chemical Society , Chemical Reviews , and The Journal of Physical Chemistry . Although specific details about academic rank and institution are not provided in the text, the volume, impact, and senior authorship of his publications strongly indicate a full professorship or equivalent leadership role in a major research institution. He is actively publishing as of 2023, confirming his current professional engagement.

• Condensed Matter Physics
• Molecular Dynamics
• Molten Salts
• +۵ مورد دیگر

Joaquim Trullàs Simó is a Professor in the Department of Physics at the Polytechnic University of Catalonia (UPC), affiliated with the Barcelona School of Architecture (ETSAB). With over 100 research activities spanning more than three decades, he has established himself as a leading researcher in condensed matter physics and molecular simulation, maintaining active research output through 2022. His research focuses on condensed matter physics , particularly the structural and dynamic properties of molten salts and ionic liquids. Trullàs employs molecular dynamics simulations to investigate polarization effects, transport properties, and structural characteristics of various condensed systems. His work bridges theoretical physics with practical applications in materials science, with particular expertise in polarizable ion models for ionic systems. Trullàs has published extensively in top physics journals including the Journal of Chemical Physics and Physical Review B. His research demonstrates a consistent focus on understanding fundamental properties of molten salts through computational approaches, with recent work emphasizing polarizable ion models and their applications to silver and copper halides. He has supervised multiple doctoral students, including Bitrián, V., and has secured 20 competitive research projects funded by Spanish national programs and the Catalan government. His collaborative network spans across Spain with 34 collaborations with Alcaraz Sendra, Olga, 30 with Giro Roca, Antoni, and significant work with Bitrian Varea, Vicente. Trullàs is a key member of the CCQM (Condensed, Complex and Quantum Matter Group) at UPC, where he contributes to advancing computational methods in condensed matter physics. His work continues to influence the field of molecular simulation of ionic systems with applications in battery materials and ionic conductors.

Jian Xiang Lianمشاهده پروفایل

پژوهشگر

• Electrochemical Energy Storage
• Solid-State Materials
• Graphene Functionalization
• +۶ مورد دیگر

Dr. Jian Xiang Lian is a computational researcher specializing in solid-state materials for energy applications. His career spans multiple institutions, including the University of Mons (UMONS) where he completed his PhD (2013-2017) under Prof. Yoann Olivier and Prof. David Beljonne. He continued postdoctoral work at UMONS (2017), CIC energiGUNE (2018-2021), and now contributes to clean energy research at the University of Calgary (since 2021). University of Mons (PhD, Postdoc) CIC energiGUNE (Postdoc) University of Calgary (Researcher) Research Focus: Atomistic and quantum simulations using Density Functional Theory (DFT) and Molecular Dynamics (MD) for energy storage systems, including: Graphene functionalization for charge transport modulation Room-temperature ionic liquids (RTILs) at graphene interfaces Oxygen and ionic diffusion in layered/mixed transition metal oxides Metal-organic frameworks (MOFs) for CO2 capture Machine learning applications in materials discovery Scientific Contributions: Jian Xiang Lian's work explores fundamental mechanisms in electrochemical systems, advancing sodium-ion batteries, lithium metal batteries, and CO2 reduction technologies. Key findings include Ti-doping effects on Na-ion mobility, oxygen vacancy dynamics in spinels, and electrolyte stability engineering. 2018: Oxygen vacancies in Co3-xMnxO4 spinels 2020: Nitridophosphates for high-voltage cathodes 2021: Perfluoropolyether electrolytes for lithium metal interfaces

Wei Yangمشاهده پروفایل

استاد

• Computational Chemistry
• Biophysics
• Structural Biology
• +۷ مورد دیگر

Dr. Wei Yang is a Professor and Chair at Florida State University, where he leads research in computational biophysics. He earned his Ph.D. from the State University of New York at Stony Brook in 2001. His laboratory develops advanced atomistic simulation techniques to study complex biomolecular systems, with interdisciplinary applications spanning biochemistry, materials science, and biophysics. Research Focus: Dr. Yang's work centers on three pillars: First-principles protein/ligand design using quantum mechanical approaches Multi-scale simulation of biochemical events (DNA repair, enzyme kinetics, biomolecular recognition) Development of efficient computational methods including QM/MM, free energy sampling, and conformational analysis His recent publications demonstrate strong emphasis on methodological innovations in molecular dynamics (e.g., free energy surface construction, polarizable force fields) with applications to protein dynamics, membrane transport, and catalytic mechanisms. Work frequently integrates machine learning resampling techniques and experimental validation. Dr. Yang directs an active computational research group (Wei Yang Lab) focused on pushing boundaries in biomolecular simulation. While no specific awards or grants are detailed in available sources, his scholarly output reflects sustained contributions to computational chemistry methodology.

Haiyuan Wangمشاهده پروفایل

پژوهشگر

• Two-Dimensional Materials
• Perovskite Solar Cells
• Boron Nitride
• +۷ مورد دیگر

Haiyuan Wang is a Researcher at the Department of Energy Conversion and Storage at the Technical University of Denmark (DTU) . Their work focuses on atomic-scale modeling of materials for energy applications, particularly perovskite solar cells and quantum emitters in 2D materials. Research Interests Research spans Perovskite solar cell stability and defect passivation Quantum emitter engineering in 2D materials Machine learning for materials discovery Strain engineering in oxide membranes Electronic and vibronic coupling at interfaces Recent Publications Key contributions include 2025: Defect passivation in perovskite photovoltaics 2025: Room-temperature quantum emitters in α-MoO₃ 2024: Spatial conformation engineering for stable perovskite cells with methodologies ranging from first-principles simulations to data-driven approaches.

Tao Pangمشاهده پروفایل

استاد

• Theoretical Physics
• Computational Physics
• Condensed Matter Physics
• +۳ مورد دیگر

Dr. Tao Pang is a full-time Professor of Physics at the University of Nevada, Las Vegas . His research focuses on theoretical and computational methods to study novel materials and structures, including cold atoms, supersolids, and highly correlated quantum systems. Email: tao.pang@unlv.edu Phone: (702) 895-4454 Research Interests : Dr. Pang's group develops and applies path-integral and diffusion quantum Monte Carlo methods to investigate quantum many-body effects in cold atoms/molecules, supersolidity, and correlated systems. Their work includes studying Bose-Einstein condensation, quantum fluctuations in solid helium, and structural properties of clusters. Publication Trends : Recent articles span computational physics, quantum mechanics, and materials science, with a focus on Monte Carlo simulations, first-principles calculations, and low-dimensional systems. Key topics include phase transitions in trapped atoms, quantum cluster dynamics, and electronic/structural characterization of materials.

• Condensed Matter Physics
• Materials Physics
• Nanotechnology
• +۳ مورد دیگر

Prof. Dr. Hülya ÖZTÜRK is a Turkish physicist specializing in Condensed Matter Physics , Materials Physics , and Nanotechnology at Kırşehir Ahi Evran University since 2021. She has held academic positions at Gazi University and Ondokuz Mayıs University, with a career spanning computational materials science and experimental collaborations in biomedical research. Education: PhD in Physics (2001), Master’s (1997), and Bachelor’s (1993) from Ondokuz Mayıs University Research: Focuses on high-pressure structural phase transitions in materials like metal dioxides , transition metal carbides , and chalcogenides , using ab initio and molecular dynamics simulations. Her recent work includes investigating structural-electronic correlations in compounds such as SrFCl and PbTe. Collaborations span computational modeling with Cihan Kürkçü (49 joint projects) and biomedical studies with Ahmet Güven in pediatric surgery . She has published over 118 works and received the 2004 Gazi University Publication Award . As an advisor, she has guided 9 doctoral and master’s students in materials science.

Oswaldo Dieguezمشاهده پروفایل

دانشیار

• Atomistic Simulation of Materials
• Epitaxial Strain Effects
• Magnetoelectric Multiferroics
• +۳ مورد دیگر

Prof. Oswaldo Dieguez is an Associate Professor at the Department of Materials Science and Engineering, Iby and Aladar Fleischman Faculty of Engineering, Tel Aviv University. He leads the Atomistic Simulation of Materials Group , focusing on computational studies at the intersection of materials science, physics, and chemistry. His research emphasizes atomistic simulations, epitaxial strain effects, and the design of magnetoelectric multiferroics. Research Areas: Epitaxial strain engineering, magnetoelectric multiferroics, computational materials design, and collaborations with experimentalists on alloys, molecular motors, and clean energy materials. Teaching: Courses in Introduction to Materials Science and Engineering , Physics of Materials , and Atomistic Simulation of Materials . Grants: Supported by the Israel Science Foundation and Tel Aviv University. Scientific Contributions: His work spans first-principles modeling of ferroelectric thin films, strain effects in perovskites, and quantum-mechanical simulations using tools like SIESTA. Recent publications highlight discoveries in ferroelectricity at the nanoscale, magnetic frustration control, and energy storage materials. Students: Mentoring PhD candidates Netanela Cohen, Mariia Mikhailova, and Daniel Potashnikov, alongside MSc student Tatiana Diachenko. Collaborating with experimental teams on metallic alloys, molecular motors, and clean energy materials.

• Condensed Matter Physics
• Materials Science
• Molecular Dynamics
• +۶ مورد دیگر

Dr. Alston Misquitta is a Lecturer in Condensed Matter and Materials Physics at the School of Physics and Astronomy, Queen Mary, University of London . His research focuses on intermolecular forces, symmetry-adapted perturbation theory (SAPT), and computational modeling of molecular and solid-state systems. Research Interests Development of ab initio and non-empirical force fields Intermolecular interaction energy decomposition Electronic structure theory applied to molecular and nanoscale systems Crystal structure prediction and validation High-pressure materials science Publication Trends Dr. Misquitta’s publications span computational chemistry, condensed matter physics, and materials science, with a strong emphasis on SAPT-based methods, polarizable force fields, and molecular dynamics simulations for organic and inorganic systems. His work addresses challenges in modeling hydrogen bonding, dispersion interactions, and excited-state phenomena. Contact Information Email: a.j.misquitta@qmul.ac.uk Phone: 020 7882 3427 Room: G Jones 216 Address: 327 Mile End Road, London, E1 4NS

• Condensed Matter Physics
• Nanotechnology
• Electronic Properties of Materials
• +۳ مورد دیگر

Dr. Andrés Botello Mendez is an Infrastructure and Application Manager at the Debye Institute for Nanomaterials Science, Utrecht University, affiliated with both Condensed Matter and Interfaces and Materials Chemistry and Catalysis subgroups. His career spans theoretical and experimental research in nanomaterials, with expertise in Condensed Matter Physics and Density Functional Theory . He holds a doctorate in Nanoscience and Nanotechnology from Mexico and previously served as an Assistant Professor at UNAM (2017–2022). His research focuses on electronic properties of two-dimensional materials , quantum transport , and strain effects in nanoscale systems. Recent work includes excitonic responses in heterostructures , edge states in topological materials , and ultrafast electronic dynamics using advanced computational tools like Python and Fortran. From 2025 publications: His team investigated surface-mediated charge carrier dynamics in Bi2Se3 and edge-localized YSR states in CrCl3/NbSe2 heterostructures. Earlier studies (2024–2016) covered twisted dichalcogenide heterostructures , colloidal nanoplatelets , and graphene-based device physics . Scientific recognition includes the Chargé de recherches fellowship (2012) Marcel de Merre prize for Nanotechnologies (2010) He contributes to UN Sustainable Development Goal 9 (Industry Innovation) and SDG 12 (Responsible Consumption) through nanomaterials research.

• Multiscale Modeling
• Machine Learning
• Surface Science
• +۴ مورد دیگر

Karsten Reuter is a Director at the Fritz-Haber-Institut der Max-Planck-Gesellschaft in Berlin. His research spans multiple disciplines within computational chemistry and materials science, with a strong focus on heterogeneous catalysis, surface science, and energy conversion processes. With over 32,000 citations and an h-index of 91, he is a highly influential researcher in his field. Dr. Reuter's research interests primarily revolve around multiscale modeling , machine learning applications in materials science , surface science , heterogeneous catalysis , and energy conversion . His work bridges theoretical approaches with practical applications in catalysis and materials design. He has made significant contributions to the development of computational methods for studying surface reactions and catalytic processes at the atomic level. An analysis of his recent publications reveals a strong trend toward integrating machine learning with traditional computational chemistry methods. His work spans from fundamental surface science studies to practical applications in energy conversion and storage. The publications cover diverse subfields including catalysis modeling, quantum chemistry methods, surface adsorption phenomena, and materials informatics. His research increasingly focuses on multiscale approaches that connect atomic-scale simulations with macroscopic phenomena. Dr. Reuter has received numerous citations for his methodological contributions, particularly in kinetic Monte Carlo simulations, first-principles thermodynamics, and the development of computational frameworks for studying heterogeneous catalysis. His work on the 'ab initio molecular simulations with numeric atom-centered orbitals' has been particularly influential with over 3,000 citations. Throughout his career, Dr. Reuter has collaborated extensively with leading researchers in computational chemistry and materials science, including Matthias Scheffler, Volker Blum, and Harald Oberhofer. His research has been supported by various grants focused on advancing computational methods for materials discovery and catalysis research.

Andrea Eschenlohrمشاهده پروفایل

پژوهشگر

• Condensed Matter Physics
• Materials Science
• Ultrafast Dynamics
• +۳ مورد دیگر

Andrea Eschenlohr is a Principal Investigator at the Collaborative Research Centre 1242 (University of Duisburg-Essen), focusing on ultrafast dynamics in oxide heterostructures. Her work bridges condensed matter physics, spintronics, and materials science through advanced spectroscopic techniques. Research interests include Charge transfer and diffusion mechanisms in oxide systems Lattice-mediated dynamics in condensed matter Femtosecond-scale spin-state switching Photon-shot-noise-limited X-ray spectroscopy Ultrafast spin injection and electron correlations Excitonic effects in perovskite oxides Her recent publications (2020–2024) reveal a consistent focus on femtosecond spin dynamics, charge transfer processes, and X-ray spectroscopy applications in nickel oxides, iron complexes, and SrTiO3 systems. Collaborations span multiple institutions leveraging European XFEL facilities. Andrea contributes to the A07 project (Charge Transfer, Diffusion, and Lattice-Mediated Dynamics in Oxide Heterostructures) within CRC 1242, advancing understanding of interface-driven ultrafast phenomena.

Frank Meyer zu Heringdorfمشاهده پروفایل

استاد

• Condensed Matter Physics
• Materials Science
• Ultrafast Dynamics
• +۵ مورد دیگر

Prof. Dr. Frank Meyer zu Heringdorf is a Principal Investigator at the Collaborative Research Centre 1242 (University of Duisburg-Essen) and holds the Professor rank. His work focuses on ultrafast electron dynamics , spin-state switching , and X-ray spectroscopy in condensed matter systems. Affiliation: University of Duisburg-Essen, Germany Research Focus: Electron correlations, magnetic materials, and nanoscale physics Research Interests: Meyer zu Heringdorf explores collective electronic excitations , non-equilibrium energy transfer , and photoinduced magnetism using advanced techniques like femtosecond laser spectroscopy and soft X-ray absorption . His group investigates spin crossover complexes , magnetocaloric materials , and electron-phonon interactions in heterostructures. Article Trends: Recent publications highlight table-top X-ray sources , renormalized charge transfer in oxides, graphene-mediated magnetic anisotropy , and attosecond pulse synthesis . These works span ultrafast dynamics , nonlinear absorption , and quantum material design . Labs & Collaborations: He leads Project B06 in CRC 1242, collaborating with researchers across European XFEL , nickel and iron compounds , and multiferroic systems .