جست‌وجوی استاد و پژوهشگر

Peter Haynesمشاهده پروفایل

استاد

• Condensed Matter Physics
• Quantum Engineering
• Nanotechnology
• +۳ مورد دیگر

Professor Peter Haynes is the Vice-Provost (Education and Student Experience) at Imperial College London, holding a joint academic appointment between the Departments of Materials and Physics. He is associated with the Thomas Young Centre and leads research in developing and applying linear-scaling quantum-mechanical simulation methods, notably through his role as an author of the ONETEP code. His work focuses on materials science, nanotechnology, and quantum computing, with applications in biological systems and energy technologies. He has held prestigious fellowships, including the Royal Society University Research Fellowship (2005–2013), and was awarded the Maxwell Medal and Prize for Computational Physics (2010) and elected to the Royal Academy of Engineering (2021). Dr. Haynes' educational background includes a doctorate from the Cavendish Laboratory, Cambridge, and postdoctoral fellowships at Magdalene and Sidney Sussex Colleges. His research affiliations span the Condensed Matter Theory Group, Energy Futures Lab, Institute for Molecular Science and Engineering, and the Quantum Engineering, Science and Technology initiative at Imperial. His research interests recently expanded into quantum computing applications, collaborating with the Imperial Centre for Quantum Engineering. Key publications include advancements in linear-scaling DFT, nanomaterial simulations under pressure, and semiconductor nanorod polarity studies. His work bridges theoretical physics with practical engineering solutions, emphasizing computational efficiency and scalability. Key Honors: Maxwell Medal & Prize (2010), Royal Academy of Engineering Fellowship (2021) Labs/Initiatives: Thomas Young Centre, Imperial Quantum Engineering Programme, ONETEP Development Team Grants & Funding: Not explicitly listed, but implied via his leadership roles and collaborative projects

Alan McGaugheyمشاهده پروفایل

استاد

• Mechanical Engineering
• Thermal Transport
• Nanoscale Heat Transfer
• +۱۵ مورد دیگر

Alan McGaughey is a Professor in the Department of Mechanical Engineering at Carnegie Mellon University's College of Engineering. He leads the Nanoscale Transport Phenomena Laboratory, where his research bridges mechanical engineering, materials science, physics, and chemistry to study atomic-level transport of mass, momentum, and energy. His work emphasizes phonon, photon, electron, and fluid particle dynamics using advanced simulation techniques. Bachelor of Engineering, McMaster University (1998) Master of Applied Science, University of Toronto (2000) Ph.D., University of Michigan (2004) Post-doctoral training, University of Florida Alan McGaughey's research interests center on nanoscale thermal transport , with applications in energy technologies , materials for energy efficiency , and multiscale modeling . His lab develops molecular- and meso-scale simulation methods, including molecular dynamics, lattice dynamics, density functional theory, and Boltzmann transport equation modeling. Key research areas include thermal transport in nanostructures and interfaces, hybrid organic-inorganic materials, electrocaloric cooling, and liquid-vapor phase change. The team also applies machine learning to accelerate materials discovery and property prediction. The recent publications (2023–2025) reflect a strong focus on thermal conductivity prediction in diverse systems—from polymers and 2D materials to disordered crystals and thin films. The work integrates first-principles simulations , uncertainty quantification , and machine learning to uncover fundamental mechanisms of phonon transport and interfacial heat transfer. A recurring theme is the role of structural disorder —static, dynamic, or rotational—in modulating thermal properties. Air Force Office of Scientific Research Young Investigator Program (2009) Benjamin Richard Teare Teaching Award (2014) National Academy of Engineering’s Frontiers of Engineering Education Symposium (2015) Professor of the Year by MechE seniors (2012, 2015, 2017) 2019 & 2024 College of Engineering Faculty Awards 2021 Viskanta Fellowship, Purdue University McGaughey has advised numerous Ph.D. and Master’s students, many of whom have gone on to impactful research careers. His group has secured funding from agencies such as the Department of Defense and the Department of Energy, including Scott Institute seed grants for energy research. He collaborates extensively with experimentalists, including Jonathan Malen, Reeja Jayan, Chris Wilmer, and others, ensuring strong theory-experiment integration. He is also involved in educational innovation and was named faculty chair-elect for the College of Engineering. The Nanoscale Transport Phenomena Laboratory is a vibrant research group that combines computational modeling with interdisciplinary collaboration to advance fundamental understanding and enable next-generation thermal materials and devices.

• Materials Engineering
• Condensed Matter Physics
• Macromolecular and Materials Chemistry
• +۳ مورد دیگر

Giuseppe Mallia is a Senior Teaching Fellow in the Department of Chemistry at Imperial College London, part of the Faculty of Natural Sciences. His research focuses on materials engineering, condensed matter physics, and macromolecular chemistry, with affiliations to the Computational Materials Science Group and the Thomas Young Centre (London Centre for the Theory and Simulation of Materials). His work emphasizes computational modeling of material properties, surface chemistry, and defect characterization in nanomaterials. Research interests include: materials for energy applications (e.g., catalysts for fuel cells, solar water splitting), electronic properties of transition metal oxides, strain effects in graphene, and optical tunability in thin films. He employs first-principles calculations and hybrid density functional theory to study surface reconstructions, adsorption mechanisms, and magnetic phenomena. Publications span over 20 years, with recent emphasis on defects in heterostructures, optical properties of doped materials, and catalytic optimization. While no awards are explicitly listed, his active research output demonstrates significant contributions to computational materials science. Mallia’s advising and grant activities are not detailed here, though his affiliations suggest involvement in collaborative research initiatives. His work contributes to advancing nanomaterials for energy and optoelectronic applications.

Bozidar Butoracمشاهده پروفایل

مدرس ارشد

• Physics Education Research
• Solid State Physics
• Physics Teaching Methodology

Dr Bozidar Butorac is a Senior Lecturer at King’s College London, affiliated with the Faculty of Natural, Mathematical & Engineering Sciences and the Department of Physics. He holds a BSc from the University of Zagreb (2004) and a PhD in Solid State Physics from King’s College London (2008), supported by an ORS scholarship. His research spans Physics Education Research (PER) and theoretical solid-state physics. Education research focuses on evidence-based pedagogy, including learner engagement through Moodle tools and video podcast assessments. His earlier work investigated diamond defects using first-principles methods. He co-founded King’s PER group in 2021, emphasizing student experience and physics learning dynamics. Publications bridge education innovation and materials science, reflecting his dual expertise. No formal advising record is mentioned, though his PER group likely involves collaborative projects. His ORS award highlights early-career research excellence.

• Computational Electromagnetics
• Statistical Electromagnetics
• Quantum Electromagnetics
• +۶ مورد دیگر

Zhen Peng is an Associate Professor in the Department of Electrical and Computer Engineering (ECE) at the University of Illinois at Urbana-Champaign (UIUC), part of the College of Engineering. He holds a B.S. from the University of Science and Technology of China and a Ph.D. from the Chinese Academy of Sciences. Prior to UIUC, he was an Assistant Professor at the University of New Mexico (2013–2019) and a Postdoctoral Fellow at The Ohio State University (2008–2013). Research Interests: Prof. Peng’s work focuses on theoretical and computational electromagnetics, including scalable algorithms, statistical wave physics, quantum electromagnetics, and chaotic reverberation chambers. His research integrates machine learning, quantum computing, and domain decomposition methods to address challenges in wireless communication, metamaterials, and electromagnetic compatibility. Recent Achievements: His group has developed groundbreaking frameworks like Photon Splatting for real-time channel modeling and quantum annealing-based optimization for reconfigurable surfaces. Key contributions include the efficient simulation of large metasurfaces and stochastic Green’s function methods for wave-chaotic environments. His work has been recognized through awards such as the NSF CAREER Award (2018), IEEE Antennas and Propagation Society Distinguished Lecturer (2024), and multiple best paper awards. Grants & Collaborations: Supported by NSF, ONR, and DARPA, his research spans academia and industry, including collaborations with Nokia and GreenerWave. He is a leader in advancing smart radio environments and computational electromagnetics education. Labs & Teams: The Advanced and Applied Computational Electromagnetics (ACEM) Group, led by Peng, drives innovation in electromagnetic modeling, quantum-assisted optimization, and statistical wave analysis. Recent highlights include developing hybrid classical-quantum computing frameworks and scalable algorithms for extreme-scale problems.

Andre Schleifeمشاهده پروفایل

دانشیار

• Materials Science
• Quantum Mechanics
• Electronic Excitations
• +۵ مورد دیگر

Andre Schleife is an Associate Professor in the Department of Materials Science and Engineering at the University of Illinois. His research focuses on advanced computational methods to study electronic and energy materials under extreme conditions, including quantum mechanical excitations and femtosecond relaxation processes. He leads the Schleife Research Group, advancing first-principles simulations using density functional theory, many-body perturbation theory, and time-dependent density functional theory. His work bridges theory and experiment, collaborating globally with experimentalists to validate findings. Education Director of the Illinois Materials Research Science and Engineering Center (MRSEC) since 2023, Schleife teaches courses such as MSE 304 (Electronic Properties of Materials) and MSE 598 ML (Machine Learning for Materials Science). He has advised numerous PhD students including Dr. Ethan Shapera, Dr. Kisung Kang, Yi-Ting Lee, and Cindy Wong. His group's innovations include the Interactive Holographic Display System (IHDS) for materials education and quantum computing simulations of materials defects. Key research areas include optical properties of materials, electron-ion dynamics, and magnon excitations in quantum materials. Recent awards include the 2023 Dean's Award for Excellence in Research and 2024 College Award for DEI. Collaborations emphasize multi-scale modeling and database-driven materials design for applications in electronics and energy storage. Notable Projects: IHDS holographic visualization tool, quantum computing for defect simulations Grants: Supported by NSF, DOE, and NCSA SPIN program Lab Infrastructure: Access to high-performance computing resources and advanced spectroscopy tools Labs/Teams: Schleife Group focuses on computational materials science with active collaborations in spintronics, nanomaterials, and quantum materials. Postdocs Zhihao Jiang and Vijaya Amerikhi contribute to magnon properties research and quantum simulations.

Clotilde Cucinottaمشاهده پروفایل

پژوهشگر ارشد

• Computational Chemistry
• Theoretical Chemistry
• Surface Science
• +۵ مورد دیگر

Dr. Clotilde Cucinotta is an EPSRC Fellow in the Department of Chemistry at Imperial College London, where she has led independent research since 2018. Her work focuses on computational modeling of solid-liquid interfaces, electron transport phenomena, and energy conversion systems using advanced molecular dynamics and first-principles methods. Her educational background includes: Master's in Condensed Matter Physics, University of Messina (Italy) PhD from University of Modena and INFM-CNR-S3 excellence centre (Italy) Dr. Cucinotta's research integrates computational chemistry and materials science to investigate interfacial processes critical for energy technologies. She specializes in modeling electrified interfaces under operational conditions, with emphasis on platinum-water systems, 2D material reactivity, and electrochemical energy conversion. Her methodologies bridge quantum mechanical simulations with macroscopic electrochemical behavior, enabling predictive design of catalysts and energy storage materials. Current projects address CO 2 conversion, battery electrode interfaces, and corrosion mechanisms through atomistic simulations. Analysis of her 2021-2025 publications reveals consistent focus on solid-liquid electrochemical interfaces, particularly platinum-water systems under bias. Her work demonstrates methodological innovation in simulating potential-controlled interfaces while advancing fundamental understanding of capacitive response, wettability, and reaction mechanisms. Key thematic areas include electrocatalysis for sustainable fuels, nanoscale battery materials, and computational tools for realistic interface modeling. Scientific recognition includes: Prestigious EPSRC Fellowship supporting her independent research program Funded by her EPSRC Fellowship, Dr. Cucinotta leads a computational research group developing novel simulation frameworks for electrochemical interfaces. She mentors early-career researchers in computational chemistry and maintains collaborations with experimental groups at Trinity College Dublin and ETH Zurich. Her grant portfolio centers on fundamental interface science with applications in energy conversion and storage. Her research is conducted within Imperial College London's Department of Chemistry, utilizing high-performance computing infrastructure for large-scale molecular dynamics and quantum simulations. The computational laboratory focuses on developing open-boundary methods for realistic electrochemical interface modeling under operational conditions.

Martina Kaledinمشاهده پروفایل

استاد

• Computational Chemistry
• Physical Chemistry
• Molecular Dynamics
• +۳ مورد دیگر

Martina Kaledin is a Professor in the Department of Chemistry & Biochemistry at Kennesaw State University, Georgia. Her research focuses on computational chemistry methods for molecular structure and dynamics, particularly in protonated clusters and atmospheric chemistry systems. She teaches undergraduate and graduate courses including General Chemistry, Physical Chemistry, and Directed Applied Research. Her research program develops molecular dynamics techniques using MP2 and DFT methods to analyze vibrational spectra, with recent work on permutationally invariant polynomial approaches for potential energy surfaces. Current projects aim to enhance computational efficiency through analytical potential energy surfaces while maintaining accuracy. Key trends in her 15 most recent publications (2012–2025) include: quantum Monte Carlo methods, polarizability-driven simulations, polynomial fitting techniques, and studies of carbon/nitrogen hydrides. She collaborates with Joel Bowman and Anatoly Kaledin, and has supervised numerous student researchers. Scientific Awards DAAD fellow (1999) Emerson Center Visiting Fellow (2000) Her advising program integrates undergraduate and graduate students into computational research projects, providing training in quantum methods, simulation tools, and spectral analysis. She has contributed to software development for molecular dynamics and polarizability calculations.

Adib Saminمشاهده پروفایل

دانشیار

• Materials Science
• Computational Materials Modeling
• Radiation Effects on Materials
• +۳ مورد دیگر

Dr. Adib Samin is an Associate Professor of Nuclear Engineering at the Air Force Institute of Technology (AFIT), specializing in computational materials science and radiation effects on materials. His research focuses on understanding the behavior of alloys under extreme conditions through atomistic simulations and first-principles calculations. He holds a PhD in Mechanical Engineering (The Ohio State University, 2014), an MS in Chemical Physics (2012), and a BS in Chemistry (Wayne State University, 2008). His research interests include materials degradation mechanisms, corrosion science, and the development of advanced alloy systems for nuclear and aerospace applications. He employs density functional theory (DFT), molecular dynamics, and machine learning techniques to study dislocation dynamics, oxygen adsorption, and radiation-induced defects in materials like tungsten, niobium-titanium alloys, and high-entropy alloys. Dr. Samin’s work has been published in journals such as Journal of Applied Physics , Corrosion Science , and ACS Langmuir , with a focus on oxidation thermodynamics, interstitial diffusion, and surface reactivity. He advises graduate students (e.g., L.A. Heaton, T.D. Doležal) on topics like alloy design and corrosion mechanisms. His contributions span interdisciplinary collaborations, addressing challenges in nuclear reactor materials, radiation-resistant magnets, and corrosion mitigation in extreme environments.

Jeffrey M. McMahonمشاهده پروفایل

استادیار

• Computational Condensed Matter Physics
• Electronic Structure Theory
• Quantum Fluids and Solids
• +۷ مورد دیگر

Jeffrey M. McMahon is an Assistant Professor in the Department of Physics and Astronomy at Washington State University, part of the College of Arts and Sciences. His research lies at the intersection of theoretical physics, materials science, and computational methods, with a strong emphasis on quantum mechanical simulations of condensed matter systems. His primary research interests include computational condensed matter physics, the electronic structure of materials, quantum fluids and solids, and the development of advanced computational techniques. He applies first-principles methods rooted in quantum mechanics to study systems such as dense hydrogen, dense water-ice, and low-dimensional helium-4. A growing focus of his group involves integrating data science methodologies into traditional physics simulations to tackle previously intractable problems. The absence of listed publications in the provided text prevents analysis of article trends. However, his interdisciplinary approach suggests strong connections across physics, chemistry, and computer science. While no scientific awards are mentioned in the text, his background at prestigious institutions like Northwestern University, Argonne National Laboratory, and the University of Illinois highlights a strong research trajectory. Dr. McMahon advises students through his research group, though specific names are not listed. There is no mention of external grants or funding sources in the provided material. He leads the McMahon Research Group, which focuses on advancing computational methods and applying them to fundamental problems in condensed matter and quantum systems. The McMahon Research Group maintains an active website dedicated to research outputs, software tools, presentations, and course notes, indicating an ongoing commitment to scholarly dissemination and education.

Giane Benvinda Damasمشاهده پروفایل

مدرس

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

Giane Benvinda Damas is a Lecturer at the Department of Physics, Chemistry and Biology (IFM) within the Faculty of Science and Engineering at Linköping University, Sweden. Her work bridges computational chemistry and materials science, focusing on catalytic processes for sustainable energy applications. Her research interests include computational and theoretical chemistry, with emphasis on catalysis, energy conversion, quantum chemical modeling, and materials for renewable energy. She investigates reaction mechanisms in CO 2 reduction, hydrogen evolution, and thin film growth using first-principles methods and kinetic modeling. The recent publications highlight a consistent trend in applying theoretical and computational approaches to solve challenges in catalysis and materials synthesis. Her work spans heterogeneous catalysis, electrocatalysis, and atomic-scale modeling of deposition processes, particularly relevant to clean energy technologies. No scientific awards or honors were mentioned in the provided texts. There is no public information available on student advising, research grants, or leadership of specific labs or research teams. However, her collaborative publications suggest active involvement in research projects at Linköping University.

• Computational Chemistry
• Molecular Simulations
• Metal-Organic Frameworks
• +۵ مورد دیگر

Louis Vanduyfhuys is an Associate Professor at Ghent University, with his research primarily focused on the investigation of mechanical, thermal, and adsorption properties of metal-organic frameworks (MOFs) for applications such as nano-mechanical devices, energy storage, and selective gas adsorption and separation. His work integrates computational chemistry, molecular simulations, and thermodynamics to develop advanced materials with tailored properties. His research spans multiple areas including force field development (with the creation of QuickFF software), advanced molecular simulations (MD, MC, cDFT), and thermodynamic modeling. He has made significant contributions to understanding the behavior of flexible porous materials, particularly MOFs, which exhibit unique phenomena such as negative thermal expansion, negative linear compression, and negative gas adsorption. His work bridges fundamental molecular insights with practical applications in gas separation, sensing, and energy storage. The publication record shows a strong emphasis on computational approaches to characterize the thermodynamic properties of nanoporous materials. His recent work increasingly incorporates machine learning techniques to enhance simulation accuracy while maintaining computational efficiency. The research demonstrates a consistent progression from fundamental force field development to practical applications of MOFs in gas storage and separation technologies. As an educator, Vanduyfhuys teaches courses including Modelling and Engineering of Nanoscale Materials, Quantum Mechanics I, Thermodynamics and Statistical Physics, and Statistical Physics at Ghent University. His teaching reflects his research expertise in computational methods and thermodynamics applied to nanoscale systems. His research group appears to focus on developing computational tools (QuickFF and ThermoLIB) for molecular simulations of porous materials, with strong collaborations across European institutions. The work demonstrates a systematic approach from force field derivation to thermodynamic analysis, providing a comprehensive framework for computational materials design.

Tom Braeckeveltمشاهده پروفایل

پژوهشگر ارشد

• Materials Science
• Perovskite Solar Cells
• Computational Chemistry
• +۳ مورد دیگر

Tom Braeckevelt is a Research Fellow at Ghent University, Belgium, working within the computational materials science group led by Prof. Veronique Van Speybroeck. Based at Tech Lane Ghent Science Park (Technologiepark 46, Zwijnaarde), he collaborates extensively with experimental teams including Prof. Johan Hofkens (photophysics) and Prof. Sara Bals (electron microscopy), bridging theoretical modeling with advanced characterization techniques to solve stability challenges in next-generation photovoltaics. Education: PhD in Materials Science, Ghent University (2018). Dissertation: Designing 2D hybrid organic-inorganic perovskites for game-changing photovoltaics , supervised by Prof. Veronique Van Speybroeck and Dr. Kurt Lejaeghere. His research centers on perovskite stability mechanisms through multiscale computational modeling (DFT, machine learning potentials, molecular dynamics) integrated with experimental validation (TEM, GIWAXS, spectroscopy). Key focus areas include phase transition kinetics, strain engineering, doping strategies, and interfacial design for cesium lead halide perovskites. This work addresses critical barriers to commercial solar cell deployment, particularly ambient-condition stability and efficiency retention. From 2019-2025, Dr. Braeckevelt co-authored 13 high-impact publications including Science (2019), Nature Communications (2022), and ACS Nano (2025), demonstrating progression from fundamental phase transition studies to machine learning-enhanced stability solutions. Recent work expands into covalent organic frameworks and rare-event sampling algorithms, reflecting methodological diversification while maintaining photovoltaic applications as the core driver. No scientific awards or fellowships were documented in the source materials. Supported by institutional research grants at Ghent University, Dr. Braeckevelt has presented findings at 8+ international conferences including PSCO19 (Lausanne), ICAMM (Rennes), and DFT2022 (Brussels). His invited talk at the 2025 Eindhoven Psiflow workshop highlights growing recognition in machine learning for perovskites. No student supervision roles were indicated in current position. He operates within Ghent's integrated materials research ecosystem, contributing to cross-disciplinary projects that combine computational prediction with nanoscale characterization to accelerate renewable energy technology development.

Heather J. Kulikمشاهده پروفایل

استاد

• Computational Chemistry
• Materials Science
• Machine Learning in Chemistry
• +۳ مورد دیگر

Heather J. Kulik is the Lammot du Pont (1901) Professor of Chemical Engineering and Professor of Chemistry at MIT. She leads the Kulik Group, focusing on computational chemistry, materials science, and machine learning for catalysis and materials discovery. Her affiliations include MIT's Department of Chemical Engineering, the Chemistry Department, and interdisciplinary centers like the Center for Enhanced Nanofluidic Transport (CENT) EFRC and the NSF Center for the Chemistry of Molecularly Optimized Networks (MONET). Education: B.E. in Chemical Engineering, Cooper Union (2004) Ph.D. in Materials Science and Engineering, MIT (2009) Postdoctoral research at Lawrence Livermore National Laboratory (2010) and Stanford University (2010–2013) Research Interests: Her work spans multi-scale modeling, electronic structure calculations, and machine learning for designing new materials (e.g., metal-organic frameworks, enzymes, organometallics). Key areas include computational catalysis, enzyme mechanism elucidation, and autonomous method selection for simulations. She emphasizes predictive accuracy in open-shell transition metal chemistry. Articles Trends: Recent work highlights machine learning-driven discovery of catalysts (e.g., methane-to-methanol), stability analysis of metal-organic frameworks, and quantum mechanical insights into enzymatic reactions. Publications emphasize applications in energy storage, environmental remediation, and biochemical processes. Awards: Burroughs Wellcome Fund Career Award (2012–2017) Sloan Fellowship (2021) AAAS Marion Milligan Mason Award (2019–2020) Advising & Grants: Advises students on computational and experimental projects, leveraging funding from agencies like NSF, DARPA, and the Department of Energy. Recent grants support machine learning integration in catalysis and materials informatics. Labs & Teams: Collaborates with experimental groups in biochemistry, materials science, and engineering. Her lab develops tools like the molSimplify toolkit and the CoRE MOF DB for data-driven discovery.

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