Find Academic Supervisors

Eva-Maria GraefeView profile

Senior Lecturer

• Quantum Mechanics
• Quantum Dynamics
• Non-Hermitian Quantum Systems
• +3 more

Dr. Eva-Maria Graefe is a Royal Society University Research Fellow and Senior Lecturer in the Department of Mathematics at Imperial College London. She specializes in quantum dynamics, focusing on the interplay between quantum and classical systems, particularly chaos and dissipation in non-Hermitian systems. Her research explores foundational questions such as how quantum motion relates to macroscopic physical laws and how dissipation can be engineered to control quantum behavior. Education: She earned her PhD in theoretical quantum physics from the Technical University of Kaiserslautern, Germany, followed by a postdoctoral position at the University of Bristol’s mathematical physics group. She joined Imperial College in 2010 as a Junior Research Fellow. Research Interests: Her work spans non-Hermitian quantum systems (e.g., PT-symmetric models), quantum chaos, semiclassical quantization, and Bose-Hubbard systems. She investigates exceptional points, Landau-Zener transitions, and the dynamics of open quantum systems with losses or gain. Her group is supported by the Royal Society and an ERC Starting Grant. Scientific Contributions: Notable achievements include studies on Husimi distributions in non-Hermitian systems, quantum-jump dynamics, and the semiclassical analysis of Bloch oscillations in dissipative lattices. Teaching & Outreach: She teaches quantum mechanics to undergraduates and Master’s students and engages in outreach to inspire high school students. She mentors a research group of PhD and Master’s students. Labs/Teams: Her lab focuses on theoretical and computational studies of quantum dynamics, supported by advanced grants and collaborations within Imperial’s Faculty of Natural Sciences.

• Theoretical Chemistry
• Quantum Chemistry
• Relativistic Effects
• +7 more

Professor Kenneth Ruud is a leading expert in theoretical and computational chemistry at UiT The Arctic University of Norway. He serves as Director General of the Norwegian Defence Research Establishment and leads the Hylleraas Centre for Quantum Molecular Sciences. His research focuses on relativistic quantum chemistry, developing advanced ab initio methods for molecular property calculations, and integrating QM/MM and continuum solvent models. Education: PhD from University of Oslo (1998, supervised by Trygve Helgaker) Postdoc: University of San Diego with Peter Taylor (1998-2000) His work spans relativistic effects in molecular properties, vibronic coupling, and X-ray spectroscopy. He contributes to software development through programs like Dalton, Dirac, ReSpect, and OpenRSP. Recent publications highlight applications in spin-vibronic dynamics, heavy metal L/M-edge XAS, and topological materials. Key scientific contributions include relativistic DFT for nuclear spin-rotation constants, polarizable embedding models for vibrational spectra, and quantum dynamics frameworks. Awards recognize his impact through the Dirac Medal (2008) and multiple academy memberships. Elected to Norwegian Academy of Science and Letters Fellow of American Association for the Advancement of Science (AAAS) Foreign member of Finnish Academy of Science and Letters He actively participates in open science initiatives and serves on boards including Norges Forskningsråd and CAROS center for subsea robotics. Current projects involve quantum molecular science in extreme environments and computational protocol development.

Andrzej M OleśView profile

Professor

• model
• Spin Orbital
• doping
• +7 more

Prof. Dr. Andrzej M Oleś serves as a Professor at the Institute of Theoretical Physics within the Faculty of Physics, Astronomy and Applied Computer Science at Jagiellonian University in Kraków, Poland. His research centers on condensed matter theory with emphasis on quantum materials and electronic structure phenomena. His primary research interests include spin-orbital coupling in transition metal compounds, electron correlation effects, doping mechanisms in metal oxides, and magnetic phenomena in antiferromagnetic/ferromagnetic systems. He employs advanced theoretical frameworks including model Hamiltonians and density functional theory to investigate quantum phases, lattice dynamics, and topological states in complex materials. Recent publications reveal a strong focus on kagome lattice systems (FeGe, RhPb), infinite-layer nickelates, and quantum computation optimization. His work demonstrates consistent exploration of charge density waves, topological surface states, and nonadiabatic quantum control across high-impact journals including Physical Review series and Condensed Matter. Oleś maintains an extensive international collaboration network with researchers from Italy, the United States, and other European institutions, as evidenced by co-authorship patterns across his publication record. His theoretical contributions address fundamental challenges in strongly correlated electron systems and quantum material design.

Yafei RenView profile

Assistant Professor

• Geometric Phase Effects
• Nonequilibrium Phenomena
• Electron-Phonon Coupling
• +7 more

Yafei Ren is an Assistant Professor in the Department of Physics & Astronomy at the University of Delaware, part of the College of Arts & Sciences. She holds a B.S. and Ph.D. from the University of Science and Technology of China and joined UD in August 2023. Her research focuses on geometric phase effects and nonequilibrium phenomena in condensed matter systems, particularly electron-phonon-coupled systems with applications in spintronics, magnonics, and phononics. Her research interests include the study of topological materials, nonlinear magnonic processes, and the interplay between magnetism and band topology. Notable projects involve engineering corner states in topological insulators, exploring exciton-magnon coupling in layered semiconductors, and investigating light-driven phonon chirality in paramagnetic systems. Ren's work spans theoretical and applied condensed matter physics, with a focus on quantum materials and their novel functionalities. Her recent publications highlight advancements in topological phase transitions, orbital magnetization dynamics, and the design of higher-order topological insulators. She advises several graduate students and postdocs, including Saurabh, Randy, Will, Ali Kefayati, and Sanjib Das.

Lisa FredinView profile

Associate Professor

• Theoretical and Computational Chemistry
• Electronic Structure
• Disorder in Materials
• +4 more

Lisa Fredin is an Associate Professor in the Department of Chemistry at Lehigh University , with research spanning theoretical and computational chemistry , electronic structure , disorder in materials , photoredox catalysis , and nanochemistry . Her work bridges experiment and theory , focusing on density functional theory (DFT) and quantum chemistry to model catalytic materials , charge transport , and excited-state dynamics in systems ranging from transition-metal complexes to oxide nanoparticles . Education: Ph.D. in Chemistry (Northwestern University, 2012), B.S. in Chemistry, Biochemistry, Applied Mathematics (UT Austin, 2007) Previous Appointments: Postdoctoral Researcher at Lund University (2012–2014), Research Associate at NIST (2015–2018) Her research explores: Disorder in Inorganic and Organic Materials: Modeling defects , doping , and dynamic molecular vibrations to understand their impact on electronic properties and device performance . Photophysics of Light-Harvesting Complexes: Studying Fe(II) , Ru(II) , and Pd(II) complexes to optimize charge separation , excited-state lifetimes , and photocatalytic efficiency . Surface and Nanoscale Reactivity: Predicting reactivity of oxide nanoparticles and metal surfaces for CO disproportionation , water oxidation , and photoredox reactions . Her recent publications highlight TD-DFT applications, Boltzmann transport in organic materials, and defect engineering in TiO2 and SrTiO3 . She has received the Sloan Research Fellowship (2024) and ACS-PHYS Postdoctoral Award (2016) . Prof. Fredin mentors 6 graduate students and 15 undergraduates , teaches Physical Chemistry and Quantum Chemistry , and leads the Fredin Group , which develops computational tools for materials discovery.

Tony HanssonView profile

Professor

• Chemical Physics
• Atomic and Molecular Processes
• Laser Spectroscopy
• +3 more

Tony Hansson is a Professor in the Department of Physics at Stockholm University, focusing on chemical physics and surface reaction dynamics. His research employs advanced spectroscopic techniques like femtosecond photoelectron spectroscopy and sum frequency generation to study molecular interactions with laser pulses and catalytic surfaces. Research Areas: Ultrafast laser-matter interactions, hydrocarbon decomposition, catalyst passivation, and excited state molecular relaxation. Methodologies: Combines experimental approaches (TPD, SFG, XPS, STM) with computational methods (DFT, molecular dynamics). Recent publications highlight his work on naphthalene dehydrogenation on nickel surfaces, sulfur's role in carbon formation, and oxide-derived gold electrode characterization. His studies bridge fundamental atomic-level processes with industrial catalysis applications. Key collaborations include Oliver Schalk and Ting Geng, with affiliations to Stockholm University's Fysikum facility. Contact: thansson@fysik.su.se

Carolin MüllerView profile

Assistant Professor

• Computational Chemistry
• Molecular Dynamics
• Machine Learning
• +7 more

Carolin Müller is a Juniorprofessor for the Theory of Electronically Excited States at the Friedrich-Alexander University Erlangen-Nuremberg since November 2023. Previously, she was a Feodor Lynen Postdoctoral Researcher at the University of Luxembourg (June 2022-October 2023) and a Postdoctoral Researcher at Friedrich Schiller University Jena (March 2021-May 2022). Dr. Müller received her B.Sc. (2016) and M.Sc. (2018) in Chemistry from Friedrich Schiller University Jena, followed by her Ph.D. (Dr. rer. nat) in 2021 from the same institution. Her doctoral research focused on "Towards Operando Spectroscopy of Supramolecular Photocatalysts – A Case Study on Ru-dppz-derived Systems" under the supervision of Prof. B. Dietzek-Ivanšić. Dr. Müller's research focuses on the theoretical understanding of photoinduced processes in molecules and materials. Her group (CPC Group) investigates electron transfer processes, isomerization reactions, and excited-state dynamics with the goal of controlling and optimizing light-driven processes for increased reactivity and efficiency. Her work combines computational chemistry, spectroscopy, and machine learning approaches, specifically utilizing methods like TD-DFT, CASSCF, molecular/quantum dynamics, and cheminformatics techniques including SVD, MCR, and global/target lifetime analysis. Her recent publications demonstrate a strong interdisciplinary approach spanning computational chemistry, spectroscopy, and machine learning. Key themes include nonadiabatic molecular dynamics, excited-state simulations, photoswitch design, photocatalysis, and the development of computational tools like KiMoPack for kinetic modeling. Her work often bridges theoretical predictions with experimental validation through close collaboration with spectroscopy research groups. Feodor Lynen Research Fellowship (Alexander von Humboldt Foundation) Thuringian Research Award 2023 for Applied Research Albert-Weller Award (German Chemical Society) Dissertation Award (Faculty of Chemistry and Earth Sciences) FCI Kekulé PhD fellowship As a Juniorprofessor, Dr. Müller leads the CPC Group at FAU, where she mentors students in computational chemistry research. She has developed expertise in combining spectroscopic techniques (resonance Raman, transient absorption, and time-resolved emission spectroscopy) with computational methods and cheminformatics approaches. She also actively contributes to the scientific community through service roles including co-organizing the ESTML 2023 Workshop and serving as an active member in the yPC organization of the German Bunsen Society. Dr. Müller is actively developing the CPC Group research program at the Computer Chemistry Center, focusing on light-induced physical processes and chemical reactions. Her group combines quantum chemistry, chemoinformatics, and experimental spectroscopy to reveal mechanisms behind photoinduced phenomena and optimize light-driven processes.

Alec M. WodtkeView profile

Professor

• Physical Chemistry
• Surface Chemistry
• Energy Conversion
• +4 more

Alec M. Wodtke is a Professor at Georg-August University Göttingen and Director of the Max Planck Institute for Biophysical Chemistry. He holds additional appointments as a Research Professor at the University of California, Santa Barbara, and a Professeur Titulaire at École Polytechnique Fédérale de Lausanne. His research focuses on electronically nonadiabatic energy transfer at surfaces, surface chemistry, and energy conversion processes at atomic scales. Education: BA in Chemistry (University of Utah, 1981); PhD in Physical Chemistry (University of California, Berkeley, 1986). Professional roles include Chair of the Department of Chemistry and Biochemistry at UCSB (2003-2009) and leadership in international research initiatives such as the ERC Advanced Grant (2017) and Synergy Grant (2024). Research interests span molecule-surface interactions, catalysis, and the development of ultra-high vacuum techniques. Key projects include probing energy transfer mechanisms using laser spectroscopy and molecular beam scattering. His work bridges theoretical and experimental approaches to understand fundamental energy conversion processes. Notable awards include the Gerhard Ertl Lecture Award (2022), Humboldt Professorship (2010), and ERC Advanced Grant. He has advised over 30 PhD students and 30 postdoctoral researchers, contributing to breakthroughs in surface dynamics and catalytic processes. Labs/Teams: Leads the Dynamics at Surfaces department at the Max Planck Institute, coordinating interdisciplinary projects on surface chemistry and energy conversion. Collaborates globally through initiatives like the International Max Planck Research School for Physics of Biological and Complex Systems.

• Quantum Chemistry
• Computational Photochemistry
• Spectroscopy
• +3 more

Prof. Tadeusz Andruniów serves as a full Professor at the Institute of Advanced Materials within the Faculty of Chemistry at Wrocław University of Science and Technology. His research program integrates quantum chemical methodologies with photobiological systems, focusing on light-induced processes in biological chromophores. With continuous publication output from 2004 to 2025, he maintains an active research trajectory evidenced by contributions to high-impact journals including the Journal of the American Chemical Society and Proceedings of the National Academy of Sciences. His core research interests encompass: Quantum Chemistry of Biological Systems Photoisomerization Dynamics in Rhodopsin Resonance Raman Spectroscopy Two-Photon Absorption Phenomena Protein-Chromophore Interactions Computational Photobiology These interests drive his investigations into excited-state behavior, energy storage mechanisms, and spectroscopic signatures of chromophores in complex biological environments. Analysis of his 2020-2025 publications reveals three dominant research thrusts: (1) Precision modeling of two-photon absorption in rhodopsin and fluorescent protein chromophores using high-level coupled-cluster methods; (2) Elucidation of protein environmental effects on spectroscopic properties through QM/MM simulations; and (3) Extension of computational frameworks to abiotic systems like sequence-defined polyurethanes. His work consistently demonstrates methodological innovation in handling excited-state dynamics and nonlinear optical properties. While specific grant details and student supervision records are not documented in available sources, his collaborative publication pattern involving international co-authors indicates active research networking. His technical contributions to computational protocols for artifact removal in polarizable embedding calculations and quantum region optimization represent significant methodological advances for the field.

Karen Z. HatsagortsyanView profile

Researcher

• Strong-Field Physics
• Quantum Electrodynamics (QED)
• Relativistic Dynamics
• +7 more

Karen Z. Hatsagortsyan is a Group Leader at the Max Planck Institute for Nuclear Physics in Heidelberg, Germany. Her research focuses on the interaction of ultrastrong laser fields with matter, spanning relativistic and nonperturbative quantum electrodynamics (QED), strong-field ionization dynamics, and plasma diagnostics using polarization properties of ejected particles. She collaborates with experimental facilities like DESY , SLAC , and the European Extreme-light-infrastructure (ELI) , and has contributed to proposals such as the LUXE experiment and FACET-II for testing nonlinear QED effects. Research Interests : Relativistic ionization and sub-barrier electron dynamics Spin polarization effects in high-energy laser interactions Gamma-ray and x-ray source development via nonlinear QED Plasma diagnostics through polarization measurements Recent Publications demonstrate advancements in ultrashort time delay measurements ( Phys. Rev. Lett. 2022 ), polarization transfer in positron beam generation ( Phys. Rev. Lett. 2019 ), and attosecond-resolved plasma field analysis ( Phys. Rev. Res. 2022 ). Her work bridges theoretical predictions with experimental validation, particularly in attoclock protocols, Coulomb focusing, and laser-based collider concepts.

• Photonics
• Quantum Optics
• Nonlinear Optics
• +5 more

Ayhan Demircan is an Adjunct Professor at the Leibniz School of Optics and Photonics in Leibniz University Hannover. He leads the Micro and Nano Photonics task group and contributes to institutions including the Institute of Quantum Optics , Ultrafast Laser Laboratory , and Hannover Centre for Optical Technologies (HOT) . His work spans photonics, quantum optics, and nonlinear dynamics, with applications in terahertz technology, soliton physics, and optical modeling. Research Interests: Photonics, quantum optics, terahertz radiation, soliton dynamics, nanophotonics, and computational modeling of optical systems. Key Institutions: Leibniz School of Optics and Photonics, Institute of Quantum Optics, HOT, and PhoenixD Cluster of Excellence. Technical Expertise: Develops Python-based tools for nonlinear Schrödinger equations, optical parametric oscillators, and ultrafast laser systems. Contact: demircan@iqo.uni-hannover.de

Vennapusa Sivaranjana ReddyView profile

Associate Professor

• Theoretical Chemistry
• Computational Chemistry
• Photochemistry
• +5 more

Dr. Vennapusa Sivaranjana Reddy is an Associate Professor in the Department of Chemistry at the School of Chemistry, Indian Institute of Science Education and Research Thiruvananthapuram (IISER TVM). With a career spanning theoretical and computational chemistry, her research focuses on ultrafast excited-state intramolecular proton transfer (ESIPT), intersystem crossing (ISC), and triplet state formation in organic molecules. She leads a dynamic research group investigating these phenomena through quantum molecular simulations and computational techniques. Education: M.Sc. and Ph.D. from the University of Hyderabad (2003-2010); B.Sc. from Government Arts College, Kadapa (2000-2003). Professional Experience: Associate Professor (2022–present) and Assistant Professor (2013–2022) at IISER TVM; postdoctoral fellowships at Nagoya University (Japan), Heidelberg University (Germany), and CSIR-HRDG/SERB-funded projects. Her research group explores ESIPT mechanisms in 5- and 6-membered proton transfer cycles, ultrafast ISC pathways in naphthalene and pyrene derivatives, and triplet formation in ESIPT tautomers. The 15 most recent articles highlight her expertise in designing optoelectronic materials, fluorescent probes for H2S detection, and computational modeling of spin-vibronic dynamics. She has secured significant grants from CSIR and SERB and collaborates with institutions across India and abroad. Her students have received prestigious PMRF fellowships and presented award-winning work at international conferences. Scientific Awards: Early Career Research Award (SERB, 2016), Alexander von Humboldt Postdoctoral Fellowship, GATE-2005 (All India Rank 6), UGC-CSIR qualification, and merit scholarship during M.Sc. Dr. Reddy’s group utilizes advanced computational tools like GAUSSIAN 09, TURBOMOLE 7.4, and MCTDH for electronic structure calculations and quantum nuclear dynamics. She mentors Ph.D. students and alumni, including those now at institutions like the University of Vienna and Ludwig-Maximilians-Universität München. Her teaching portfolio includes courses in physical chemistry, quantum chemistry, and computational methods.

• Computational Materials Science
• Molecular Dynamics
• Machine Learning
• +2 more

Dr. Priya Vashishta is a Professor with joint appointments in Computer Science, Materials Science, and Physics at the University of Southern California. His research integrates computational methods across multiple scales to address fundamental challenges in materials science and nanotechnology. Research focuses on multiscale simulation frameworks combining quantum molecular dynamics, machine learning interatomic potentials, and high-performance computing. Key areas include: energy storage materials, 2D materials characterization, catalytic processes, and AI-driven materials discovery. Publication trends reveal consistent development of computational methodologies: machine learning potentials for materials simulation, neural network quantum dynamics, GPU-accelerated computing, and multiscale modeling techniques. Recent work emphasizes practical applications in energy storage, nanoscale electronics, and advanced manufacturing. Research group activities include development of open-source simulation packages (PND, Allegro) and leadership in the MAGICS computational materials center. Contributions span fundamental theoretical frameworks to applied materials engineering.

• Physical Chemistry
• Chemistry
• Laser Technology
• +4 more

Dr. Scott Sayres is an Associate Professor at Arizona State University (ASU), affiliated with the School of Molecular Sciences and the Biodesign Center for Applied Structural Discovery. His research focuses on the interaction of light and matter, particularly using ultrashort laser pulses to study electron dynamics in chemical reactions. He earned a Ph.D. in Chemistry from Pennsylvania State University (2010) and a B.S. in Mathematics and Chemistry from Shippensburg University (2004). His work combines electron, ion, and photon detection methods to explore fundamental processes in clusters and molecules under strong-field excitation. Key research areas include ultrafast pump-probe spectroscopy, strong-field ionization, and the photodynamics of metal oxide clusters. His lab investigates phenomena like Coulomb explosion, Rydberg excitons, and proton transfer in formic acid clusters. The Sayres Lab hosts a research website at sayreslab.asu.edu . Teaching responsibilities include courses like Physical Chemistry I (CHM 345), Research Techniques (CHM 392/BCH 392), and Honors Thesis supervision. While no formal student advisees are listed, his research group actively explores experimental and theoretical aspects of cluster dynamics. Notable publications span 2010–2025, with recent work on copper oxide clusters, pseudocarbynes, and formic acid dynamics. His research bridges physics and chemistry, emphasizing ultrafast phenomena at the nanoscale.

Federico Javier HernándezView profile

Lecturer

• Computational Chemistry
• Photochemistry
• Photophysics
• +5 more

Dr. Federico Javier Hernández serves as a Lecturer in Computational Chemistry at the Centre for Chemical Research within the School of Physical and Chemical Sciences at Queen Mary University of London. His expertise centers on computational photochemistry and photophysics, with emphasis on excited-state mechanisms in complex molecular environments including aggregates, organic crystals, and solution-phase systems. Hernández completed his undergraduate studies in Physical Chemistry at the University of Córdoba (UC), Argentina, followed by a hybrid experimental and theoretical-computational PhD in Chemistry jointly awarded by UC and the University of Quilmes under Professors Gustavo Pino and Juliana Palma. His doctoral research investigated photophysical and photochemical processes relevant to Atmospheric Chemistry and Biochemistry. His laboratory focuses on elucidating fundamental mechanisms behind phenomena such as aggregation-induced emission, radiative quenching, singlet fission, ultralong organic phosphorescence, charge/exciton transport, and thermally activated delayed fluorescence. These investigations employ advanced computational methodologies including plane-wave DFT, multiscale electronic structure methods (QM:QM' and QM:MM), nonadiabatic dynamics simulations (surface hopping and Ehrenfest dynamics), and machine learning integration for materials discovery. This work directly supports rational design of functional molecules for optoelectronic applications and energy storage/conversion technologies. Analysis of Hernández's 15 most recent publications (2022-2025) reveals consistent focus on nonadiabatic dynamics in condensed phases, excited-state mechanisms in molecular aggregates, and atmospheric reaction kinetics. Key trends include development of computational benchmarks for photochemical processes, application of machine learning to photodynamics, and investigation of polaritonic effects in vibrational spectroscopy. His work bridges theoretical chemistry with practical materials design for optoelectronics. No major scientific awards or fellowships are documented in the available information. While current PhD advisees are not listed, Hernández maintains an active research group within the Centre for Chemical Research. His collaborative network spans international institutions including University College London, University of Bristol, and University of Santiago de Chile. He contributes to academic instruction through CHE 209 – Introductory Programming for Chemists and leverages his ORCID profile (https://orcid.org/0000-0001-7497-9424) for scholarly identification. His research infrastructure integrates high-performance computing with data science approaches to tackle complex photochemical problems.