جست‌وجوی استاد و پژوهشگر

Liviu UNGURمشاهده پروفایل

استادیار

• Quantum Chemistry
• Electronic Structure Theory
• Ab Initio Calculations
• +۵ مورد دیگر

Liviu UNGUR is an Assistant Professor in the Department of Chemistry at the National University of Singapore. He holds a B.Sc. (2004), M.Sc. (2005) from State University of Moldova, and an M.Sc. (2006) and Ph.D. (2010) from KU Leuven, Belgium. His postdoctoral research included roles at FWO (2010-2018), KU Leuven, and Lund University (2015-2016). Research Interests: Focuses on quantum chemistry, electronic structure theory, and ab initio calculations. Specializes in crystal field models, magnetic relaxation, single-molecule magnets, and weak intermolecular interactions. His work bridges theoretical and experimental studies of lanthanide, actinide, and transition metal compounds. Teaching: Teaches CM2133 Foundations of Physical Chemistry and CM5235 Applied Computational Chemistry . Awards: Postdoctoral Mandate, Fonds Wetenschappelijk Onderzoek Vlaanderen (FWO) Best Doctoral Thesis in Molecular Magnetism (2014) Key Research Contributions: Pioneered ab initio crystal field methodologies for lanthanides, identified design principles for high-temperature single-molecule magnets, and explored toroidal magnetism in lanthanide clusters. His work integrates quantum chemistry with materials science for applications in spintronics and quantum computing.

Theodoros Karamanosمشاهده پروفایل

مدرس

• Nuclear Magnetic Resonance (NMR)
• Protein Folding
• Molecular Chaperones
• +۳ مورد دیگر

Dr. Theodoros Karamanos is a Lecturer and Wellcome Trust/Royal Society Sir Henry Dale Fellow at the Department of Life Sciences, Imperial College London, within the Faculty of Natural Sciences. His research focuses on using Nuclear Magnetic Resonance (NMR) spectroscopy to study protein folding, misfolding, and chaperone-mediated proteostasis. He leads a lab investigating transient protein species critical for biological functions, particularly in chaperone complexes and amyloid assembly pathways. His academic journey includes a tenure-track position at the University of Leeds (Astbury Centre) and current leadership at Imperial's Centre for Structural Biology. He has mentored students like Noor (President's PhD scholar) and Hasina (MRes candidate), emphasizing structural biology and protein dynamics. Key research areas include NMR methodology advancements, AI integration in structural studies, and understanding molecular mechanisms of disease. He has secured prestigious fellowships and published extensively on chaperone complexes, protein aggregation, and NMR applications. His lab recently acquired Bruker's InsightMR flow device to study NMR under continuous flow, expanding capabilities in dynamic protein analysis. Collaborative projects with Professors Wilson and Woolfson highlight his work on β-strand interactions and IDP behavior. Awards: Wellcome Trust/Royal Society Sir Henry Dale Fellowship Labs/Teams: Centre for Structural Biology, Imperial College London Grants: Supported by Wellcome Trust

• Theoretical and Computational Chemistry
• Materials Engineering
• Nanotechnology
• +۵ مورد دیگر

Johannes Lischner is a **Professor of Theory and Simulation of Materials** at the **Department of Materials, Imperial College London**, and director of the MSc in Advanced Materials Science and Engineering. He leads the Thomas Young Centre for Theory and Simulation of Materials and Molecules. With a PhD from Cornell University (2010), he specializes in electronic excitations in complex materials, focusing on twisted 2D materials, plasmonic hot carriers, and core-electron spectroscopy. His research combines advanced electronic structure methods (GW/BSE) to study nanomaterials and energy materials. Key areas include twisted bilayers of graphene and transition metal dichalcogenides, nanoplasmonic hot-carrier generation, and core-electron spectroscopy modeling. Notable contributions include predicting hot-carrier dynamics in gold nanoparticles for CO₂ reduction and explaining superconductivity in twisted bilayer graphene. Recent publications highlight atomistic modeling of plasmon-induced hot carriers, excitonic Mott insulators in moiré heterostructures, and core-electron binding energy calculations. His work bridges theory and experiment, collaborating with groups at Barcelona, Carnegie Mellon, and Heriot-Watt Universities. **Affiliations**: Imperial College London, Thomas Young Centre **Education**: PhD Physics (Cornell University, 2010) **Grants**: Royal Society University Research Fellowship (2014–present) Lischner’s lab develops novel methods for simulating excited-state phenomena in materials, with applications in renewable energy, nanotechnology, and quantum devices.

Patrick Thiranمشاهده پروفایل

استاد

• Network Science
• Wireless Networks
• Machine Learning
• +۳ مورد دیگر

Patrick Thiran is a Full Professor at the École Polytechnique Fédérale de Lausanne (EPFL) in Switzerland, affiliated with the School of Computer and Communication Sciences and the Department of Computer Science. His research focuses on network science, wireless networks, machine learning, and complex systems. Laboratoire de la dynamique de l'information et des réseaux Chair in Communication Systems Teaching: Modèles stochastiques pour les communications, Networks out of control His work explores the fundamental properties of wireless networks , source localization in large-scale networks , and network tomography . Recent publications demonstrate expertise in graph neural networks, epidemic modeling, and stochastic optimization. His 15 most recent publications show consistent contributions to network science, machine learning, and wireless communications, with a focus on graph algorithms , source localization , and network dynamics . Key subfields include metric dimension , community detection , and Bayesian optimization . He has advised numerous PhD students including Elahi Sepehr, Fua Raphaël Andrew, and Kuroda Daichi, reflecting his significant contributions to graduate education and research mentorship.

Niao Heمشاهده پروفایل

دانشیار

• Machine Learning
• Optimization
• Reinforcement Learning
• +۴ مورد دیگر

Prof. Niao He is an Associate Professor in the Department of Computer Science at ETH Zürich. His research focuses on optimization theory, reinforcement learning, stochastic systems, and their applications in machine learning and multi-agent systems. He holds an academic position at one of the world's leading technical universities, contributing to both theoretical advancements and practical algorithmic solutions. His research interests span optimization theory (e.g., convex/non-convex optimization, stochastic optimization), reinforcement learning (policy gradient methods, multi-agent systems), and statistical learning (risk-averse methods, entropy regularization). He has also explored applications in data science, network revenue management, and deep reinforcement learning for complex systems. Recent work emphasizes algorithmic reproducibility, robustness under model uncertainty, and efficient methods for large-scale problems. Notable contributions include novel approaches to minimax optimization, mean-field games, and adaptive learning frameworks. His articles consistently address theoretical guarantees while maintaining practical relevance for real-world computational challenges.

Rudolph A. Marcusمشاهده پروفایل

استاد

• Chemical Kinetics
• Electron Transfer
• Reaction Dynamics
• +۳ مورد دیگر

Rudolph A. Marcus is the John G. Kirkwood and Arthur A. Noyes Professor of Chemistry at the California Institute of Technology (Caltech). He joined Caltech in 1978 as the Noyes Professor and has held the Kirkwood-Noyes Professorship since 2013. His research focuses on theoretical analyses of chemical kinetics, electron transfer processes, and reaction dynamics across diverse systems. Education: B.Sc from McGill University (1943), Ph.D from McGill University (1946). Honorary degrees include D.Sc.h.c. from the University of Chicago, Polytechnic University, McGill University, University of New Brunswick, Queen's University, University of Oxford, University of North Carolina at Chapel Hill, University of Illinois at Urbana-Champaign, Technion-Israel Institute of Technology, Universidad Politécnica de Valencia, Northwestern University, University of Waterloo, Nanyang Technological University, Tumkur University, University of Hyderabad; Fil.dr.h.c. from University of Gothenburg; D.h.c. from Yokohama National University; and LL.D. from University of Calgary. Research Interests: Marcus develops theories to explain experimental phenomena in chemical kinetics. Key areas include: Theoretical models for single-molecule imaging and rotor manipulation (e.g., F1-ATPase) Temperature-dependent phonon modes in organometallic thin films On-water catalysis of organic reactions in emulsions Fluorescent intermittency in semiconductor quantum dots Electron/hole injection theories for photovoltaic cells Mass-independent isotopic fractionation in ozone formation Publications: His extensive work (280+ publications) explores electron transfer theory, intramolecular dynamics, and surface science. Recent articles emphasize theoretical frameworks bridging chemistry, physics, and biology, with consistent focus on reaction mechanisms in complex systems. Group & Infrastructure: Leads the Marcus Group at Caltech, studying reaction theories. Key collaborators include Kai Niu, Oganes Khatchikian, Sandor Volkan-Kacso, and Ricardo Matute. Laboratory support provided by assistant Margarita Davis.

Ralph Adamsمشاهده پروفایل

پژوهشگر ارشد

• NMR Spectroscopy
• Analytical Chemistry
• Biochemistry
• +۴ مورد دیگر

Dr. Ralph Adams is a Senior Research Fellow and Head of NMR Spectroscopy at the University of Manchester's Department of Chemistry, specializing in analytical, measurements and physical chemistry. He develops novel NMR techniques applied to chemistry, biochemistry, and medicine, with current projects including ultra-selective methods (GEMSTONE), diffusion-ordered spectroscopy (DOSY), and reaction monitoring methodology. His education includes an MChem from the University of York (2005) and a PhD from University of York (2009) on hyperpolarisation applications in magnetic resonance imaging. Postdoctoral work included roles at Bruker and EPSRC-funded research on matrix-assisted DOSY. Research Interests: Adams' work focuses on advancing NMR methodologies and their applications across scientific domains. His primary research areas include: Development of ultra-sensitive NMR techniques for chemical analysis Applications in biomolecular structure determination Hyperpolarization methods for medical imaging Reaction monitoring systems for chemical processes Diffusion-ordered spectroscopy advancements His publications demonstrate consistent focus on NMR methodology enhancement, with recent emphasis on sensitivity improvements and applications to organometallic compounds. Article trends show increased specialization in rare-earth complexes and metal-organic framework characterization. Research Leadership: Adams supervises graduate and undergraduate research projects in the NMR Methodology Group and collaborates widely with natural science researchers to apply NMR solutions to scientific challenges. He has led EPSRC-funded projects (EP/H024336/1, EP/L018500/1) and currently manages Manchester's NMR instrumentation facility.

Meagan Oakleyمشاهده پروفایل

استاد پژوهشی

• Density Functional Theory
• Actinide Chemistry
• Lanthanide Chemistry
• +۳ مورد دیگر

Meagan Oakley is the Dr Dame Kathleen Ollerenshaw Fellow in Computational and Theoretical Chemistry, actively accepting PhD students. Her research focuses on actinide and lanthanide chemistry, leveraging computational methods like density functional theory (DFT) and experimental techniques such as EPR spectroscopy to study molecular structures, bonding, and reactivity. Research Interests: Oakley's work spans actinide/lanthanide coordination chemistry, molecular design using tools like AtomAccess, relativistic quantum chemistry, and materials science. She explores topics including metal-carbon bonding mechanisms, solvation effects on actinide ions, and the development of predictive computational frameworks for novel materials. Collaborations: Recent collaborations include studies on borophene adsorption, lanthanide(II) phosphide complexes, and single-molecule magnet behavior. She contributes to open-source projects like OpenMolcas Web, advancing computational chemistry accessibility. Labs/Teams: Leads the development of AtomAccess, a predictive tool for molecular design, and actively involves in collaborative efforts on actinide chemistry and DEI initiatives in chemistry education.

Richard Winpennyمشاهده پروفایل

استاد

• Molecular Magnetism
• Inorganic Synthesis
• Coordination Chemistry
• +۴ مورد دیگر

Richard Winpenny is a Professor of Inorganic Chemistry and Materials Chemistry at the University of Manchester , leading the School of Chemistry from 2014–2018. He holds academic roles such as Associate Dean for Research (2008–2010) and Director of the Photon Science Institute (2009–2014). His research focuses on molecular magnetism , polymetallic cage complexes , and nanotechnology . Key contributions include developing single-molecule magnets and heterometallic rings for quantum computing applications. Education: Both degrees from Imperial College London (PhD under Prof David Goodgame on metal-organic frameworks; postdoc with Prof John Fackler at Texas A&M on gold cluster mass spectrometry). Joined Edinburgh in 1990, moved to Manchester in 2000 as Chair. Research Interests : Synthesis of polymetallic cages , molecular magnets , quantum information systems , and corrosion modeling. Current projects include hybrid inorganic-organic rotaxanes , Cr-Ni qubit systems , and nanofabrication via resist processing . Awards Royal Society Wolfson Merit Award (2009) RSC Tilden Medal and Prize (2011) Ludwig Mond Medal (2016) ERC Advanced Fellowship (2018–2022) Grants & Projects : EPSRC Established Career Fellowship (2018–2022), leading the Direct Writing of Nanodevices project (2023–2026). Collaborates globally with institutions like Texas A&M and Aarhus University. Labs/Teams : Heads the Molecular Magnets Group and contributes to the Photon Science Institute . Supervises research on single-molecule magnets , ion mobility mass spectrometry , and quantum coherence in nanoscale systems .

Gregory Scholesمشاهده پروفایل

استاد

• Chemical Biology
• Spectroscopy/Physical Chemistry
• Theoretical Chemistry
• +۴ مورد دیگر

Gregory D. Scholes is the William S. Tod Professor of Chemistry at Princeton University, leading the Scholes Group in the Department of Chemistry. His research focuses on understanding light-matter interactions, quantum coherence in chemical and biological systems, and solar energy conversion mechanisms. He directs the BioLEC DOE Energy Frontier Research Center, exploring bio-inspired solar energy solutions. Scholes has held leadership roles including Chair of Princeton Chemistry (2020-2023) and is Editor-in-Chief of the Journal of Physical Chemistry Letters. His honors include Fellowships from the Royal Society and Royal Society of Chemistry, as well as the 2011 Raymond and Beverly Sackler Prize in Physical Sciences. Research Interests: Scholes’ work integrates ultrafast laser spectroscopy with quantum chemical modeling to study energy transfer in photosynthetic systems, quantum effects in chemical reactions, and cavity quantum electrodynamics. His group develops multidimensional electronic spectroscopy techniques to probe femtosecond molecular dynamics and coherence phenomena. Key areas include quantum information science applications, photobiomodulation, and excitonic materials design. Scientific Contributions: Over 200+ peer-reviewed publications highlight his breakthroughs in observing quantum coherence in algae (Nature 2010), elucidating light harvesting in cryptophyte algae (JPC 2023), and advancing polariton chemistry concepts (Proc. R. Soc. A 2020). Current initiatives include exploring entropic resources in light-matter coupling and engineering photoenzymes for sustainable catalysis.

William Barfordمشاهده پروفایل

استاد

• Theoretical Chemistry
• Quantum Physics
• Materials Science
• +۵ مورد دیگر

William Barford is a Professor of Theoretical Chemistry at the University of Oxford and a Fellow of Balliol College. His research focuses on quantum processes in macromolecular systems, particularly in conjugated molecules such as polymers, nanotubes, porphyrins, and DNA. He employs advanced computational methods like DMRG (density matrix renormalization group) and MPS (matrix product states) to study exciton dynamics, singlet fission, and environmental interactions in these systems. His work bridges theoretical chemistry with applications in photovoltaics and light-harvesting systems. Collaborations with experimentalists at the University of Sheffield enhance his research on carotenoid singlet fission mechanisms. Barford’s expertise includes developing computational tools for open-quantum systems and analyzing ultrafast spectroscopic data. His research addresses fundamental questions about electron-nuclear coupling, disorder effects, and energy transfer mechanisms. Recent studies investigate singlet-triplet interconversion in carotenoids and exciton diffusion in disordered polymers, with implications for improving optoelectronic device efficiency. His group’s theoretical models provide critical insights into how molecular structure influences quantum phenomena in biological and synthetic systems. Key research areas include: Singlet fission in carotenoids and polyacenes Exciton dynamics in conjugated polymers DMRG-based computational methods for quantum chemistry Environmental effects on electronic excitations His publications emphasize the interplay between theory and experiment, with contributions to understanding decoherence, polaron transport, and quantum coherence in complex molecular systems.

David Manolopoulosمشاهده پروفایل

استاد

• Quantum Chemistry
• Chemical Dynamics
• Condensed Phase Dynamics
• +۳ مورد دیگر

David Manolopoulos is a Professor of Theoretical Chemistry at the University of Oxford, affiliated with St Edmund Hall. His research spans three decades, focusing on quantum mechanical effects in chemical dynamics, including gas phase reactions, condensed phase systems, and spin dynamics. He has developed widely used computational methods like Ring-Polymer Molecular Dynamics (RPMD) and semiclassical approaches for radical pair reactions. Education: BA in Natural Sciences (1984) and PhD in Theoretical Chemistry (1988) from the University of Cambridge. Career: Lecturer at University of Nottingham (1990), Lecturer at Oxford (1995), promoted to Professor in 2005. His work emphasizes scalable quantum methods to address complex systems, with applications in gas phase dynamics (resonances, tunneling, non-adiabatic effects), condensed phase dynamics (nuclear quantum effects in water, para-hydrogen), and spin dynamics (radical pair magnetoreception, chemical compass models). Recent publications highlight advancements in path integral methods, surface hopping, and quantum-classical hybrids for electron transfer, exciton dynamics, and thermal conductivity. His research group at Oxford integrates machine learning with molecular simulations. Scientific Awards: Marlow Medal (Royal Society of Chemistry, 1995) Corday-Morgan Medal (1997) Chemical Dynamics Award (2009) International Academy of Quantum Molecular Science Annual Prize (2000) Fellow of the Royal Society (2011) Member of the International Academy of Quantum Molecular Science (2013) He has held editorial roles at the Journal of Chemical Physics (Associate Editor since 2008, Deputy Editor since 2015) and leads the Manolopoulos Group , which develops open-source software for quantum simulations.

Pablo Rodolfo Baldivieso Monasteriosمشاهده پروفایل

مدرس

• Control Systems
• Distributed Control
• Model Predictive Control
• +۳ مورد دیگر

Dr. Pablo Rodolfo Baldivieso Monasterios is a Lecturer in AI and Data Science at the School of Electrical and Electronic Engineering, University of Sheffield. He holds a Ph.D. in Robust Distributed Control (2018) from the same university, an MSc in Control Systems from the University of Sheffield, and degrees in Electronic Engineering (Escuela Militar de Ingeniería, Bolivia) and Pure Mathematics (Universidad Mayor de San Andrés, Bolivia). His research focuses on control systems, distributed control, model predictive control (MPC), and their applications in power systems and energy networks. He has contributed to advancements in DC microgrids, nonlinear control architectures, and coalitional MPC frameworks. Dr. Baldivieso Monasterios has held postdoctoral roles at the Control and Power Systems (CAPS) laboratory and the University Technology Centre (UTC) at the University of Sheffield. His work integrates AI with engineering challenges, emphasizing robustness and scalability in cyber-physical systems. His recent publications (2021–2024) explore neural network integration with MPC, decentralized control for meshed networks, and plug-and-play features in coalitional systems. Education: Ph.D. in Robust Distributed Control, University of Sheffield (2018) MSc in Control Systems, University of Sheffield Bachelor's Degree in Electronic Engineering, Escuela Militar de Ingeniería, Bolivia Bachelor's Degree in Pure Mathematics, Universidad Mayor de San Andrés, Bolivia Teaching: ACS234: Systems Engineering Mathematics II ACS6124: Multisensor and Decision Systems His research interests span distributed control systems, MPC optimization, and AI-driven solutions for energy infrastructure. He has collaborated on projects involving DC microgrids, peer-to-peer negotiation frameworks, and autonomous cyber-physical systems.

Julia A. Weinsteinمشاهده پروفایل

استاد

• Physical Chemistry
• Ultrafast Spectroscopy
• Solar Energy Conversion
• +۵ مورد دیگر

Professor Julia A. Weinstein is a Professor of Physical Chemistry at the University of Sheffield's School of Mathematical and Physical Sciences. She leads the Light-Matter Interactions Research Cluster, the Lord Porter Laser Laboratory, and the Physical Chemistry Teaching Theme. Her career includes postdoctoral work at the University of Nottingham (2000) and roles as an EPSRC Advanced Research Fellow (2004). She earned a Diploma in Chemistry (1990) and PhD (1994) from Moscow Lomonosov State University, later joining its faculty before moving to the UK. Her research focuses on ultrafast dynamics of electron/energy transfer, solar energy conversion, and photocatalytic systems. Techniques include ultrafast laser spectroscopy, time-resolved IR, and computational modeling. Collaborations span global institutions like the Rutherford Appleton Laboratory and LaserLab Europe. Teaching includes undergraduate courses on Mathematics for Chemists and Chemical Kinetics, and postgraduate modules on Photochemistry and Molecular Photonics. Awards include the RSC Chemical Dynamics Award (2017) and Lomonosov Award (2003). Active in lab leadership, she oversees the Lord Porter Ultrafast Laser Spectroscopy Laboratory and contributes to UK XFEL initiatives. Current research explores charge-separated states in molecular systems and their applications in renewable energy and imaging technologies.

• Femtochemistry
• Laser Spectroscopy
• Chemical Dynamics
• +۳ مورد دیگر

Prof. Dr. Peter Vöhringer is a Professor at the Clausius Institute for Physical and Theoretical Chemistry within the Faculty of Mathematics and Natural Sciences at the University of Bonn. His research focuses on femtochemistry and laser spectroscopy , particularly exploring molecular dynamics in condensed phases using ultrashort laser pulses. Key interests include chemical reactions (e.g., isomerizations, dissociations), proton/electron transfers, and structural relaxation processes in liquids/supercritical fluids. His work combines experimental spectroscopy with quantum-chemical calculations and molecular dynamics simulations. Recent publications highlight ultrafast dynamics in photochemical reactions and CO 2 binding mechanisms via iron complexes. He is affiliated with the Transdisciplinary Research Area (TRA) Matter , contributing to cutting-edge studies in molecular photonics and sustainability. No scientific awards explicitly mentioned. No listed Ph.D./Master’s students. His lab utilizes state-of-the-art facilities at the Molecular Photonics and Chemistry group .