جست‌وجوی استاد و پژوهشگر

Jiri Vanicekمشاهده پروفایل

دانشیار

• Theoretical Chemistry
• Quantum Dynamics
• Computational Chemistry
• +۴ مورد دیگر

Jiri Vanicek is an Associate Professor at EPFL's School of Basic Sciences (SB), within the Institute of Chemical Sciences and Engineering (ISIC), leading the Laboratory of Theoretical Physical Chemistry (LCPT). He holds a secondary teaching role in the SCGC department. His research focuses on quantum dynamics, molecular spectroscopy, and computational chemistry, with a particular emphasis on nonadiabatic processes and semiclassical methods. He supervises PhD students in theoretical and computational chemistry, including current advisees Davide Barbiero and Yannick Calvino Alonso. Vanicek's work bridges advanced theoretical frameworks with computational tools, addressing challenges in electronic coherence, vibronic spectra, and finite-temperature effects. His lab develops innovative methods like Hagedorn wavepacket dynamics and Ehrenfest-based approaches to model molecular systems. Courses taught include Mathematical Methods in Chemistry and Molecular Quantum Dynamics , emphasizing symmetry applications and numerical techniques. His research group has produced over 50 peer-reviewed articles since 2010, with recent work (2021–2025) exploring decoherence mechanisms, anharmonicity in vibrational spectra, and efficient quantum dynamics algorithms. He collaborates internationally on topics ranging from polyatomic electronic coherences to isotope effects in chemical reactions. Vanicek’s contributions have advanced both fundamental theory and practical computational tools in physical chemistry. Advising spans 17 PhD students, with notable alumni including Tomislav Begusic and Seonghoon Choi. His lab maintains the LCPT website as a resource for research projects and methodologies.

Richard A. Friesnerمشاهده پروفایل

استاد

• Theoretical Chemistry
• Computational Chemistry
• Biochemistry
• +۷ مورد دیگر

Richard A. Friesner is the William P. Schweitzer Professor of Chemistry at Columbia University's Department of Chemistry. His research focuses on theoretical and computational chemistry, with emphasis on novel quantum mechanical/molecular mechanics (QM/MM) methods, molecular mechanics force fields, protein structure prediction, and computational models for enzyme catalysis and drug discovery. Key projects include: Development of QM/MM methodologies for protein-active site modeling (e.g., methane monooxygenase, cytochrome P450) Automated polarizable force field construction for organic molecules and proteins Applications in drug discovery via predictive scoring and free-energy calculations High-resolution protein structure prediction (e.g., CASP4 contest participation) His work bridges computational methods with biological and materials science problems, leveraging GPU computing and algorithm automation for efficiency. Recent publications highlight advancements in quantum Monte Carlo simulations and ligand-binding free energy calculations. Dr. Friesner collaborates with interdisciplinary teams in pharmaceutical research, structural biology, and materials engineering, contributing to open-source software tools for computational chemistry.

Jared Maxsonمشاهده پروفایل

دانشیار

• Accelerator Physics
• Electron Beam Technology
• Materials Science
• +۵ مورد دیگر

Jared Maxson is an Associate Professor of Physics at Cornell University's College of Arts and Sciences. His research focuses on high-brightness electron beams, accelerator physics, and novel photocathode materials. He leads a lab developing ultrafast electron diffraction systems and collaborates with the NSF-funded Center for Bright Beams. Education: B.S. Physics, Lehigh University (2009) Ph.D. Physics, Cornell University (2015) Research Interests: Design and optimization of high-brightness electron sources Epitaxial growth of alkali antimonide photocathodes Applications in ultrafast electron diffraction and synchrotron radiation Spin-polarized beam generation and quantum material dynamics Development of cryogenic electron microscopy techniques Key Projects: Ultrafast electron diffraction apparatus with sub-picosecond resolution HERACLES beamline for high-average-current photocathode testing Molecular beam epitaxy (MBE) for photoemitter fabrication Lab Team: Current graduate students: Michael Kaemingk, Chad Pennington, Charles Zhang, Benjamin Dickensheets Grants & Collaborations: Principal Investigator for NSF Center for Bright Beams Collaborations with condensed matter physics groups on quantum material transient phases

Cyrus Umrigarمشاهده پروفایل

استاد مدعو

• Theoretical Condensed Matter Physics
• Quantum Monte Carlo
• Electronic Structure Theory
• +۳ مورد دیگر

Cyrus Umrigar serves as an Adjunct Professor in the Physics Department at Cornell University since 2004, maintaining continuous association with Cornell since 1981 through roles including Post-doctoral Associate (1981-84) and Senior Research Associate (1992-2007). His academic credentials include: B.Sc. in Physics and Mathematics from Bombay University (1972) M.Sc. in Physics from Indian Institute of Technology, Bombay (1974) Ph.D. in Physics from Northwestern University (1980) Umrigar's research centers on Theoretical Condensed Matter Physics using Quantum Monte Carlo methodologies to solve electronic correlation problems. His work spans quantum dots under magnetic fields, high-pressure semiconductor phases, defects, and transition metal-ligand spin states. He pioneered advancements in trial wave functions, parameter optimization, imaginary-time propagators, nuclear force calculations, excited-state energy evaluation, Fermion sign problem mitigation, and semistochastic projection techniques. His notable recognitions include: Fellow of the American Physical Society Member-at-large for APS Division of Computational Physics (2006-2009) Long-standing program committee membership for Electronic Structure Methods Workshop (1990-present) Umrigar mentors graduate students Matt Otten and Mingtong Han while leading international collaborations with Princeton University (Garnet Chan), University of Paris, Duke, University of Rhode Island, Twente Universiteit, University of Basel, University of Erlangen, and SISSA Trieste. He directs development of the CHAMP (Cornell-Holland Abinitio Materials Package) software used globally for materials simulations. The CHAMP computational framework integrates his methodological innovations and serves as a cornerstone for cross-institutional quantum Monte Carlo research initiatives.

• Quantum Computing
• Machine Learning
• Theoretical Physics
• +۳ مورد دیگر

James Stokes is an Assistant Research Scientist in the Department of Mathematics at the University of Michigan, affiliated with the College of Literature, Science, and the Arts. His research focuses on quantum algorithms, neural network quantum states, and their applications in theoretical physics and computational finance. Stokes holds a Ph.D. from the University of Pennsylvania (2015), along with M.Phil. and M.S. degrees from the University of Melbourne (2010) and a B.S. from the University of Sydney (2007). His work bridges quantum computing and machine learning, addressing challenges in quantum chemistry simulation, partial differential equation solving, and gauge theory modeling. Recent articles highlight contributions to variational quantum algorithms, meta-variational Monte Carlo methods, and scalable architectures for quantum systems. Stokes' research emphasizes algorithmic innovation in high-dimensional HJB equations, financial derivative pricing, and symmetry-preserving neural networks for gauge theories. His office is located in East Hall, Room 4079, and he can be reached via stokesjd@umich.edu.

Samuel Hubermanمشاهده پروفایل

استادیار

• Thermal Transport
• Condensed Matter Physics
• Molecular Dynamics
• +۱ مورد دیگر

Samuel Huberman is an Assistant Professor in Chemical Engineering at McGill University, leading research in thermal transport phenomena, condensed matter physics, and computational methods. His lab investigates phonon hydrodynamics, nanoscale heat transfer, and materials for energy applications using density functional theory, molecular dynamics, and ultrafast spectroscopy techniques. Research focuses on: Phonon transport in 2D materials and nanostructures Hydrodynamic heat transport modeling beyond Fourier's law Experimental techniques like frequency-domain photoreflectance Solid-state electrolytes for battery technologies Recent publications demonstrate innovations in thermal transport theory and characterization methods applied to semiconductors, fluorides, and alloy systems.

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.

Michael B. Sullivanمشاهده پروفایل

استادیار مدعو

• Materials Science
• Computational Chemistry
• Nanotechnology
• +۳ مورد دیگر

Michael B. Sullivan is a prominent academic and researcher with dual roles as Department Director of Materials Science and Engineering at the Institute of High Performance Computing (A*STAR, Singapore) and Adjunct Assistant Professor at the National University of Singapore. His career spans computational chemistry, materials science, and nanotechnology, with a focus on catalysis, organic electronics, and nanomaterials. Sullivan holds a Ph.D. in Chemistry from the University of Minnesota and a B.A. in Chemistry from St. John's University, where he earned multiple academic honors. His research expertise includes computational modeling of materials, density functional theory (DFT), and surface chemistry. Notable contributions include studies on boron nitride nanotubes, graphene growth mechanisms, and the thermochemistry of metal oxides. Sullivan has supervised numerous graduate students and led industrial collaborations with multinational companies. He has been recognized with awards such as the St. John's University Senior Chemistry Award and holds leadership roles in organizations like the A*STAR Chemistry Club. Sullivan's work bridges theoretical and applied research, addressing challenges in energy materials, nanotechnology, and catalytic systems.

• 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.

Jeremy Richardsonمشاهده پروفایل

دانشیار

• Theoretical Quantum Chemistry
• Molecular Dynamics Simulation
• Nonadiabatic Quantum Dynamics
• +۳ مورد دیگر

Prof. Jeremy Richardson is an Associate Professor in the Department of Chemistry and Applied Biosciences at ETH Zurich, specializing in theoretical quantum molecular dynamics. He holds a PhD from the University of Cambridge and has held postdoctoral positions at Friedrich-Alexander University Erlangen-Nürnberg and Durham University. His research focuses on quantum tunneling, nonadiabatic dynamics, and semiclassical methods, with notable contributions to ring-polymer molecular dynamics and instanton theory. He leads the Theoretical Molecular Physics group and teaches advanced courses in physical chemistry and molecular dynamics. Research interests include nonadiabatic quantum dynamics, quantum tunneling in molecules and clusters, and the development of novel simulation methods like the MASH approach. His work bridges theoretical and computational chemistry, with applications in understanding ultrafast processes and reaction mechanisms in chemical systems. Key contributions: Development of instanton theory for tunneling splittings, MASH surface-hopping algorithms, and machine learning integration in quantum dynamics. Recent trends: Exploring temperature-dependent tunneling mechanisms, cavity-modified reactions, and efficient quantum-classical hybrid methods. Awarded the 2020 Hellmann Prize for Theoretical Chemistry and actively involved in the ETH MPS Colloquium and theoretical chemistry seminars. His group collaborates on projects involving attosecond spectroscopy, vibrational polaritons, and surface reaction dynamics.

Motohiko Murakamiمشاهده پروفایل

استاد

• Geochemistry
• Petrology
• High-pressure Experiments
• +۲ مورد دیگر

Prof. Dr. Motohiko Murakami is a Full Professor at ETH Zürich's Department of Earth and Planetary Sciences and Head of the Institute of Geochemistry and Petrology. He received his Bachelor's degree from Tokyo Institute of Technology (1999) and doctorate in 2004. His academic appointments include faculty positions at Tokyo Institute of Technology (2005), Okayama University (2006-2008), and Tohoku University (2008 onwards). Murakami's research focuses on high-pressure mineral physics , exploring Earth's interior through experimental techniques combined with synchrotron X-ray and spectroscopic analyses. Key interests include deep mantle structure, magma ocean dynamics, phase transitions under extreme conditions, and planetary core composition. His publications consistently investigate mantle mineralogy, seismic discontinuities, and material properties at core-mantle boundary conditions, utilizing advanced high-pressure experimental methods and computational simulations. Scientific Honors: James B Macelwane Medal, AGU (2013) Union Fellow, AGU (2013) Life Fellow, Mineralogical Society of America (2011) Mineralogical Society of America Award (2011) The Young Scientists' Prize, Japan (2010) Outstanding Student Award, AGU (2004)

Nicholas Chiltonمشاهده پروفایل

استاد

• Molecular Magnetism
• Lanthanide Chemistry
• Quantum Computing
• +۳ مورد دیگر

Nicholas Chilton is Professor of Computational & Theoretical Chemistry at the University of Manchester's Faculty of Science and Engineering. He earned BSc (Hons) from Monash University and PhD from Manchester, followed by prestigious fellowships including Ramsay Memorial, Presidential, and Royal Society URF. His research develops ab initio methods for molecular magnetism, focusing on lanthanide single-molecule magnets and quantum computing applications. Current projects include molecular qubit design with electric field control and magnetic anisotropy engineering. Publications demonstrate consistent innovation in molecular magnetism, combining spectroscopic validation with computational design. Recent work advances enzyme engineering applications alongside core magnetism research.

• Material Science
• Electrochemistry
• Catalysis
• +۳ مورد دیگر

Dr. Oliver Conquest is a Researcher in the Department of Physics at the University of Sydney, affiliated with the School of Physics. His research focuses on advanced materials for energy applications, particularly in electrocatalysis and CO 2 reduction. He employs computational methods like density functional theory (DFT) and first principles modeling to design novel catalysts and study material properties. His work spans nanocatalysts for CO 2 hydrogenation, 2D heterostructures, and ferroelectric materials. Recent studies include optimizing cobalt phthalocyanine electrocatalysts and exploring graphene-based biomedical sensors. He collaborates on projects involving layered semiconductors and energy storage systems. Dr. Conquest’s publications (2021–2025) reflect a strong emphasis on computational chemistry, electrochemical engineering, and sustainable chemistry. His 2023–2025 articles highlight advancements in catalyst design, substrate engineering, and reaction mechanism elucidation. Currently supervising research students, Dr. Conquest’s work aligns with global initiatives for carbon capture and green energy solutions. No scientific awards are explicitly listed in the provided materials.

• Material Science
• Catalysis
• Quantum Physics
• +۳ مورد دیگر

Hongyang Ma is a Researcher at the Department of Physics, University of Sydney, affiliated with the Faculty of Science. His research focuses on material science, catalysis, quantum physics, and energy materials, with particular expertise in computational modeling (DFT/ab-initio) of nanostructured materials and their applications in energy conversion and environmental catalysis. His work explores piezo-photocatalytic systems, spin-valley coupling in 2D materials, vacancy-engineered oxides, and dopant qubits in silicon. Notable contributions include interfacial engineering of heterojunctions for water splitting and mechanistic studies of pH-driven biomimetic reactions in CeO2. Publications span from 2016 to 2025, with recent trends emphasizing synergistic catalytic effects (sono-piezo-photosynthesis), spintronic device design, and quantum computing applications. Collaborative projects involve experimentalists and computational chemists to bridge theory and application. No scientific awards or grants are explicitly listed in the provided text. Current research students are listed under publications but specific names aren't detailed here.

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

Professor Catherine Stampfl is a Professor of Physics at the University of Sydney, leading the Condensed Matter Theory Research Group within the School of Physics. She holds a PhD and BSc from La Trobe University, Australia, and a Habilitation from the Technical University Berlin, Germany. Her research focuses on first-principles computational condensed matter and materials science, with expertise in nanomaterials, quantum materials, and energy-related applications. Member of Sydney Environment Institute Member of Sydney Southeast Asia Centre Member of The Net Zero Institute Member of The University of Sydney Nano Institute Her research interests include computational modeling of nanomaterials, defect engineering in semiconductors, and design of materials for sustainable technologies. Notable contributions include studies on CO₂ reduction catalysts, 2D materials for optoelectronics, and thermoelectric efficiency enhancement. She is an ARC Laureate Fellow and Fellow of the Australian Academy of Science. Recent grants include projects on computational design of frontier materials (ARC Laureate Fellowship), photocatalytic CO₂ conversion, and electrochemical carbon capture. Her work bridges theoretical physics and applied materials science, addressing global challenges in energy and sustainability. Key collaborations: Xerox PARC, Max Planck Institute, Northwestern University Leadership roles: Head of Condensed Matter Theory Group Labs/Teams: Condensed Matter Theory Research Group at the University of Sydney, collaborating with international institutions on computational materials discovery and nanotechnology.