جستجوی استاد راهنمای دانشگاهی

Pedro Manuel Duarte Gonçalves Amaroمشاهده پروفایل

استادیار

• Atomic Physics
• Quantum Processes
• Plasma Modeling
• +۳ مورد دیگر

Pedro Manuel Duarte Gonçalves Amaro is an Assistant Professor at the Department of Physics (DF) of the NOVA School of Science and Technology (FCT NOVA), part of Nova University of Lisbon. He holds a PhD in Atomic Physics (2011) from a joint program between NOVA and Sorbonne Université, complemented by a Master’s in Physics and a Degree in Physics Engineering from NOVA. His research focuses on multidisciplinary atomic physics, including theoretical studies of quantum processes, plasma modeling, and experimental laser spectroscopy of muonic atoms. He is affiliated with LIBPhys-UNL and contributes to the Lisbon Atomic Database (LISA). Key research interests include second-order quantum processes, resonances, and cross-section measurements relevant to astrophysics. He has published extensively in top journals like Physical Review Letters , Nature , and The Astrophysical Journal , with notable work on muonic hydrogen spectroscopy and Fe XVII line emission. In 2021, he received the XRS best referee award for contributions to peer review. His work bridges theoretical and experimental physics, addressing challenges in atomic structure, plasma diagnostics, and precision measurements. Collaborations span international institutions, including the Max Planck Institute and Sorbonne Université. His research supports advancements in astrophysics, fusion energy, and fundamental physics.

Joseph Sperlingمشاهده پروفایل

دانشگاهی

• Nuclear Energy
• Actinide Chemistry
• Radiochemistry
• +۳ مورد دیگر

Dr. Joseph Sperling is a Research Associate Professor in the Department of Chemistry at the Colorado School of Mines. His research focuses on nuclear energy applications, actinide chemistry, and radiochemistry. He specializes in synthesizing and characterizing novel actinide complexes, with a particular emphasis on transuranium elements like plutonium, americium, curium, and californium. His work explores structural chemistry, bonding mechanisms, and electronic properties under varying conditions such as high pressure and ligand modification. Education details are not explicitly provided, but his extensive publication record suggests advanced training in inorganic chemistry and materials science. His research interests include investigating covalency in metal-ligand bonds, designing ligands for actinide separation, and studying pressure-induced phase changes in actinide materials. Key research trends in his articles include the synthesis of organometallic actinide complexes, crystallographic analysis of transuranium compounds, and probing electronic structures through spectroscopic and computational methods. His studies often compare actinide behavior with lanthanides to highlight unique properties. Recent work has also revitalized coordination chemistry of radium and explored divalent europium complexes with crown ethers. Though no awards are listed, his prolific output in top-tier journals indicates recognition in the field. He has advised no students listed here, but his research likely involves a team of postdocs and technicians in specialized actinide chemistry labs. Collaborations likely focus on nuclear energy applications and fundamental actinide science. His research infrastructure includes advanced crystallography facilities, high-pressure apparatus, and computational resources for quantum chemistry modeling. Projects may involve national laboratories given the sensitivity of actinide work.

• Astrophysics
• Exoplanet Research
• Planetary Science
• +۳ مورد دیگر

Dr. Gavin Coleman is a Postdoctoral Research Assistant at Queen Mary University of London's School of Physical and Chemical Sciences. His research focuses on astrophysical phenomena including exoplanet formation, protoplanetary disc dynamics, and circumbinary planetary systems. He specializes in computational modeling of planet formation mechanisms such as pebble accretion and photoevaporation impacts on disc evolution. Coleman has contributed to observational studies of circumbinary planets and free-floating planets, utilizing advanced techniques like the DOLBY method for radial velocity extraction. His work bridges theoretical simulations with observational data, addressing questions about planetary system architectures and stellar environment interactions. Research interests include the interplay between stellar radiation and disc evolution, planetary migration pathways, and the role of binary star systems in shaping planetary systems. His studies employ multi-fluid hydrodynamical simulations and N-body models to explore planet formation scenarios. Recent projects involve constraining formation histories of specific systems like TOI-1338/BEBOP-1 and developing tools like the fried v2 mass-loss rate grid. Publications span topics from circumbinary planet detection methodologies to the Galactic distribution of free-floating planets. Coleman collaborates internationally on projects such as the BEBOP collaboration targeting exoplanet host stars. His research frequently integrates observational data from facilities like SOPHIE spectrograph and space-based telescopes to validate computational models.

• Atomic and Molecular Physics
• Quantum Mechanics
• High-Order Harmonic Generation
• +۱۹ مورد دیگر

Prof. ERDİ ATA BLEDA is a Professor in the Department of Physics at Marmara University, Faculty of Arts and Sciences . He earned his Ph.D. in Physics and Astronomy from Clemson University (2008) and has held academic positions at both Marmara University and Istanbul Arel University. His research spans atomic and molecular physics, computational quantum chemistry, high-order harmonic generation, and machine learning applications in materials science. Doctorate: Clemson University, Physics and Astronomy (2004–2008) Postgraduate: Clemson University (2002–2004) Undergraduate: Marmara University, Physics (1997–2001) His research interests include atomic and molecular interactions , quantum mechanical modeling , nonlinear optical processes , plasma spectroscopy , and machine learning in material properties prediction . He employs computational methods such as DFT, TDDFT, and kinetic Monte Carlo simulations to study molecular systems, confined atoms, and nanostructures. His recent work explores twisted bilayer graphene using machine learning and high-harmonic generation from endofullerenes. The most recent publications reflect a strong trend in computational materials discovery , atomic-scale simulation , and quantum phenomena in confined systems . His work integrates physics, chemistry, and computer science, often with applications in nanotechnology and astrophysics. Themes include dielectronic recombination in plasmas, hydrogen bonding in organic molecules, and electronic structure analysis of novel carbon systems. His scientific awards include: In recognition of passion and dedication to improving student learning with Pearson’s MasteringPhysics (2013) Second Place in Physics Mef National Project Competition (1997) He supervises several graduate and doctoral students, with recent theses on machine learning in 2D nanostructures and parallelization of Green’s function methods. He has led multiple TÜBİTAK-funded research projects integrating GPU computing and quantum modeling. He also serves as the Erasmus Program Institutional Coordinator and has held leadership roles in academic commissions. He has contributed to scientific software development and holds patents in interactive data management systems. He is actively involved in research laboratories and teams focusing on computational physics, quantum chemistry, and high-performance computing. His group collaborates internationally and presents regularly at major physics and quantum chemistry conferences.

Behice Şebnem Sesalanمشاهده پروفایل

دانشیار

• Phthalocyanine Chemistry
• DNA Binding
• Photochemistry
• +۳ مورد دیگر

Behice Şebnem Sesalan serves as a Docent (Associate Professor) in the Department of Chemistry at Istanbul Technical University, specializing in the design and application of phthalocyanine-based compounds for biomedical and environmental solutions. Her work bridges synthetic chemistry with practical implementations in photodynamic therapy and pollutant remediation. Her research centers on Phthalocyanine Chemistry, DNA Binding mechanisms, Photochemical properties, and Photodynamic Therapy development. She pioneers water-soluble phthalocyanine derivatives for targeted applications, emphasizing their catalytic efficiency and biological compatibility. Key contributions include elucidating DNA-small molecule interactions and engineering PEG-conjugated systems for enhanced therapeutic efficacy. Recent publications (2018-2025) demonstrate a cohesive trajectory toward biomedical innovation—particularly in anticancer photodynamic therapy using zinc/cobalt phthalocyanines—and environmental applications like silicon-phthalocyanine-catalyzed dye degradation. This dual focus highlights her commitment to solving healthcare and ecological challenges through molecular design. Scientific recognition includes: Department First Place (1997) Dr. Sesalan has supervised five graduate researchers and secured four major grants from Istanbul Technical University's Scientific Research Projects unit. Key projects include "Synthesis of New Macromolecules and Investigation of Their Biological Properties" (2021-2022), "Synthesis of New Macrocyclic Compounds and Investigation of Their Catalytic Effects" (2021-2022), and biotechnological liquid crystal research (2016-2018). Her collaborative network spans computational chemists and biophysicists, driving interdisciplinary advances in macromolecular science. Current work focuses on quaternized phthalocyanines for improved DNA targeting and antibacterial phototherapy, supported by institutional grants and international partnerships.

Mark Simsمشاهده پروفایل

استادیار

• Computational Chemistry
• Self-Assembly Processes
• Ordered Materials
• +۵ مورد دیگر

Mark Sims is an Assistant Professor in Computational Chemistry at Northumbria University 's Applied Sciences Department. His work bridges computational and experimental studies of ordered materials, focusing on self-assembly processes and molecular design. University of York (MChem 2011, PhD 2015) Postdoctoral Research Associate (2015) with Dr. John Moore and Prof. John Goodby Northumbria University (2017–present) His research specializes in: Liquid crystal modeling: Investigating de Vries behavior and SmC–SmA phase transitions via atomistic simulations. Bioorthogonal chemistry: Rationalizing reaction kinetics of strained alkynes using ab-initio methods. Actinide extraction: Calculating binding properties of 1,2,4-triazine ligands for nuclear reprocessing applications. X-ray scattering analysis: Quantifying alignment in self-organizing systems and addressing data processing errors. Recent publications highlight his computational expertise in designing ligands for nuclear reprocessing (2025) and unraveling complex reaction mechanisms in bioorthogonal systems (2024, 2023). Collaborations with Dr. Valery Kozhevnikov and Dr. Frank Lewis drive interdisciplinary projects in these fields. Key contributions include: Developing computational frameworks to predict liquid crystal behavior Advancing ligand selectivity for actinide over lanthanide extraction Elucidating stereoselective ring expansion reactions Creating modular approaches for emissive materials design

• Atomic physics
• Theoretical physics
• Energy spectra
• +۴ مورد دیگر

Dr. Pavel Rynkun is a Senior Researcher at the Institute of Theoretical Physics and Astronomy (ITPA) within the Faculty of Physics at Vilnius University. His research focuses on theoretical investigation of energy spectra and transition parameters of atoms and ions, with significant applications in astrophysics, particularly for understanding kilonovae from neutron star mergers. Dr. Rynkun specializes in atomic data calculations, energy spectra analysis, and transition parameters for various atomic systems. His work bridges theoretical atomic physics with astrophysical applications, particularly in the context of neutron star mergers and kilonova phenomena. He has developed expertise in relativistic atomic structure calculations, multiconfiguration Dirac-Hartree-Fock methods, and perturbation theory approaches for complex atomic systems. His publication record shows a strong focus on heavy elements, particularly lanthanides, with applications to astrophysical opacity calculations. Recent work has centered on improving atomic data for kilonovae modeling, investigating energy levels for various ionized elements (including Ce, Pr, Th, and Ba), and developing theoretical frameworks for calculating atomic properties with high precision. His research demonstrates a consistent trajectory toward more sophisticated computational methods for atomic structure calculations. Research Council of Lithuania scholarships (2011-2013) World Federation of Scientist National Scholarship stipend (2012) Dr. Rynkun has supervised multiple student theses, serving as consultant for BSc and MSc theses at Vilnius University and the Lithuanian University of Educational Sciences. His research is well-connected internationally, with collaborations spanning multiple countries and institutions, particularly evident in his extensive publication record in high-impact astrophysics and atomic physics journals.

George Volonakisمشاهده پروفایل

استادیار

• Computational Materials Science
• Energy Materials
• Quantum Mechanics Simulations
• +۳ مورد دیگر

George Volonakis serves as a Junior Professor at the University of Rennes, France, affiliated with the Institute of Chemical Sciences of Rennes (ISCR) and the Inorganic Theoretical Chemistry team (CTI). His research focuses on computational materials science for energy applications, employing first-principles quantum mechanical calculations to investigate perovskite-based materials for next-generation solar cells and opto-electronic devices. His primary research interests encompass computational prediction of structural, electronic, and optical properties in energy materials, with specialized expertise in halide perovskites and their surface/interface phenomena. He develops advanced simulation methodologies including parameter-free hybrid functionals and efficient semiempirical approaches to model complex materials systems, aiming to accelerate discovery of stable, high-efficiency photovoltaic materials through computational design. Analysis of his 2021-2025 publications reveals sustained focus on perovskite materials science, with growing emphasis on lead-free alternatives (double perovskites), dimensionality effects (2D/3D structures), and polaronic phenomena. Key trends include integration of computational predictions with experimental validation, methodological innovations for band gap prediction, and targeted exploration of surface stability issues critical for device performance. Professor Volonakis currently leads the ANR-funded SURFIN project investigating surfaces/interfaces in new materials, demonstrating active grant support. Holding an HDR qualification, he supervises PhD students and maintains an open recruitment policy for motivated candidates. His research group operates within the CTI team at ISCR, providing computational expertise in materials discovery with strong collaborative links to experimental groups.

David Sherrillمشاهده پروفایل

استاد

• Computational Chemistry
• Theoretical Chemistry
• Quantum Chemistry
• +۳ مورد دیگر

David Sherrill is a Regents' Professor in the School of Chemistry and Biochemistry at the Georgia Institute of Technology with a joint appointment in the College of Computing. As of January 2025, he serves as interim executive director of the Georgia Tech Institute for Data Engineering and Science (IDEaS), supporting interdisciplinary research in data science and high-performance computing across campus. His educational background includes a B.S. in Chemistry from MIT (1992), a Ph.D. in Chemistry from the University of Georgia (1996), and an NSF Postdoctoral Fellowship at UC Berkeley (1996-1999) working under Martin Head-Gordon. Sherrill's research focuses on ab initio electronic structure theory development and non-covalent interaction analysis across diverse chemical systems. His group pioneers methods like symmetry-adapted perturbation theory (SAPT) to dissect electrostatic, dispersion, and exchange-repulsion effects in drug binding, biomolecular structures, organic crystals, and organocatalysis. They specialize in generating high-accuracy quantum datasets for machine learning applications and developing the open-source Psi4 quantum chemistry software used globally. Recent publications reveal a strategic shift toward integrating quantum chemistry with machine learning —evident in tools like SparcleQC for automated protein-ligand studies and physics-aware neural networks for binding energy prediction—while maintaining rigorous benchmarking against coupled-cluster theory. The work increasingly targets crystal lattice energy prediction and anharmonic vibrational analysis with practical applications in drug design. Elected Member, International Academy of Quantum Molecular Science (2024) Herty Medal for Outstanding Contributions (2023) Fellow of AAAS, American Chemical Society, and American Physical Society National Science Foundation CAREER Award (2001) Camille and Henry Dreyfus New Faculty Award (1999) Sherrill actively mentors doctoral students including Caroline Glick (Ph.D. 2024), Philip Nelson (Ph.D. 2024), and current researchers like Izzy Berry (CRIDC poster award winner). His group receives sustained funding from NSF and ACS programs, supporting projects such as the BioFragment Database (BFDb) and CrystaLattE software for molecular crystal analysis. As associate director of IDEaS since 2016, he has secured resources for interdisciplinary computational infrastructure while advancing quantum chemistry methodology. The Sherrill Research Group operates from the Molecular Science and Engineering Building at Georgia Tech, maintaining active collaborations with national labs and industry partners. They contribute to Psi4's development while leading initiatives like the Supercomputing Conference participation and the Southeastern Regional ACS symposium honoring Sherrill's Herty Medal achievement.