Find Academic Supervisors

Jian Xiang LianView profile

Researcher

• Electrochemical Energy Storage
• Solid-State Materials
• Graphene Functionalization
• +6 more

Dr. Jian Xiang Lian is a computational researcher specializing in solid-state materials for energy applications. His career spans multiple institutions, including the University of Mons (UMONS) where he completed his PhD (2013-2017) under Prof. Yoann Olivier and Prof. David Beljonne. He continued postdoctoral work at UMONS (2017), CIC energiGUNE (2018-2021), and now contributes to clean energy research at the University of Calgary (since 2021). University of Mons (PhD, Postdoc) CIC energiGUNE (Postdoc) University of Calgary (Researcher) Research Focus: Atomistic and quantum simulations using Density Functional Theory (DFT) and Molecular Dynamics (MD) for energy storage systems, including: Graphene functionalization for charge transport modulation Room-temperature ionic liquids (RTILs) at graphene interfaces Oxygen and ionic diffusion in layered/mixed transition metal oxides Metal-organic frameworks (MOFs) for CO2 capture Machine learning applications in materials discovery Scientific Contributions: Jian Xiang Lian's work explores fundamental mechanisms in electrochemical systems, advancing sodium-ion batteries, lithium metal batteries, and CO2 reduction technologies. Key findings include Ti-doping effects on Na-ion mobility, oxygen vacancy dynamics in spinels, and electrolyte stability engineering. 2018: Oxygen vacancies in Co3-xMnxO4 spinels 2020: Nitridophosphates for high-voltage cathodes 2021: Perfluoropolyether electrolytes for lithium metal interfaces

Peter BoseView profile

Researcher

• Solid-State Physics
• Quantum Physics
• Electronic Transport
• +4 more

Peter Bose is a researcher at the Institute of Physics, Faculty of Natural Sciences II at Martin Luther University Halle-Wittenberg, specializing in quantum theory of solids with emphasis on electronic transport phenomena in tunnel junctions. His research expertise includes: Solid-State and Quantum Physics Nanoscale Electronic Transport Tunnel Magnetoresistance Effects Computational Methods in Condensed Matter Interface Phenomena in Magnetic Systems Dr. Bose employs advanced computational techniques based on the Landauer-Büttiker formalism and multiple scattering theory to investigate quantum transport properties. His work demonstrates how atomic-scale interface structures critically influence electronic behavior in planar tunnel junctions, with significant implications for spintronic device design. His research has revealed substantial reductions in tunnel magnetoresistance ratios due to interfacial oxygen contamination and explored potential tuning mechanisms through magnetic interlayers. These findings contribute to the fundamental understanding of quantum transport in magnetic multilayer systems.

Wei YangView profile

Professor

• Computational Chemistry
• Biophysics
• Structural Biology
• +7 more

Dr. Wei Yang is a Professor and Chair at Florida State University, where he leads research in computational biophysics. He earned his Ph.D. from the State University of New York at Stony Brook in 2001. His laboratory develops advanced atomistic simulation techniques to study complex biomolecular systems, with interdisciplinary applications spanning biochemistry, materials science, and biophysics. Research Focus: Dr. Yang's work centers on three pillars: First-principles protein/ligand design using quantum mechanical approaches Multi-scale simulation of biochemical events (DNA repair, enzyme kinetics, biomolecular recognition) Development of efficient computational methods including QM/MM, free energy sampling, and conformational analysis His recent publications demonstrate strong emphasis on methodological innovations in molecular dynamics (e.g., free energy surface construction, polarizable force fields) with applications to protein dynamics, membrane transport, and catalytic mechanisms. Work frequently integrates machine learning resampling techniques and experimental validation. Dr. Yang directs an active computational research group (Wei Yang Lab) focused on pushing boundaries in biomolecular simulation. While no specific awards or grants are detailed in available sources, his scholarly output reflects sustained contributions to computational chemistry methodology.

Pierre Ferdinand P. PoudeuView profile

Professor

• Thermoelectric Materials
• Spintronics
• Energy Conversion
• +5 more

Pierre Ferdinand P. Poudeu is a Professor in the Department of Materials Science & Engineering at the University of Michigan , where he has been since at least 2011. His research focuses on the design, synthesis, and evaluation of solid-state inorganic materials for thermoelectric, spintronic, photovoltaic, and energy storage applications, with a particular emphasis on understanding and controlling multifunctional material properties. Educations: B.S. and M.S. in Chemistry from University of Yaoundé-I (1996, 1998), Ph.D. in Inorganic Solid State Chemistry from Dresden University of Technology (2004) Professional Experience: Assistant Professor at University of New Orleans (2007-2011), Postdoctoral positions at Northwestern and Michigan State Universities Research Interests center on discovering materials with combined functionalities, particularly for thermoelectric energy conversion and spintronic devices . His work involves crystal structure manipulation, defect engineering, and nanocomposite design to optimize electronic, thermal, and magnetic properties. Recent efforts highlight ultra-low thermal conductivity composites , Anderson localization in doped systems, and dynamic recrystallization for mechanical robustness. Scientific Contributions include 15 recent publications (2022-2025) on topics like Ag2Te solid solutions , Cu2Se composites , and Bi2Te3 nanostructuring . His group has produced notable alumni now working at LAM Research , Intel , and 3M India . Awards: NSF-CAREER (2010), UNO Early Research Professor (2010) Editorial Roles: Associate Editor of Reviews in Advanced Sciences & Engineering (2011-), Editorial Board of Journal of Nanoengineering & Nanomanufacturing (2010-) Poudeu's lab supervises current graduate students Brandon Buchanan , Yixuan Chen , Lamia Dawahre , Yiqiao Huang , Ruiming Lu , and Juan Lopez . Former advisees include Erica Chen (LAM Research), Honore Djieutedjeu (Intel), Pranati Sahoo (3M India), and Alan Olvera (LAM Research).

Liang QiView profile

Associate Professor

• Computational Materials Science
• Mechanical Properties of Materials
• Chemical Properties of Materials
• +3 more

Liang Qi serves as Associate Professor in the Department of Materials Science and Engineering at the University of Michigan's College of Engineering, where he leads computational research on mechanical and chemical properties of advanced materials. Education: Ph.D. in Materials Science and Engineering, University of Pennsylvania (2009) M.S. in Materials Science and Engineering, Ohio State University (2007) B.E. in Materials Science and Engineering, Tsinghua University (2003) Research Interests: Dr. Qi's work integrates first-principles calculations , atomistic simulations , multiscale modeling , and statistical machine learning to investigate deformation mechanisms, phase transformations, and microstructure-property relationships. His research spans titanium alloys, magnesium systems, high-entropy alloys, and semiconductor nanostructures, with emphasis on additive manufacturing processes and computational alloy design. The group develops predictive models for mechanical behavior under extreme conditions while bridging simulation with experimental validation. Analysis of recent publications reveals dominant trends in additive manufacturing of refractory alloys , grain boundary engineering in lightweight metals , and machine learning-accelerated materials discovery . Key focus areas include laser powder bed fusion processing, twinning mechanisms in hexagonal metals, and corrosion modeling in energy-relevant alloys, demonstrating strong alignment with Department of Energy and NSF priority research areas. Scientific Awards: TMS MPMD Young Leaders Professional Development Award (2021) National Science Foundation CAREER Award (2019) Dr. Qi's research is supported by competitive federal funding, notably the NSF CAREER award enabling computationally guided alloy design. His prior postdoctoral positions at MIT (Nuclear Science), University of Pennsylvania (Materials Science), and UC Berkeley (Materials Science) established foundations in multiscale modeling of structural materials. Current work integrates machine learning with physics-based simulations to accelerate development of next-generation structural alloys. His computational materials science group maintains active collaborations with experimental labs across the College of Engineering, particularly in the Center for新材料 Research, focusing on in-situ characterization of deformation mechanisms and additive manufacturing processes.

Haiyuan WangView profile

Researcher

• Two-Dimensional Materials
• Perovskite Solar Cells
• Boron Nitride
• +7 more

Haiyuan Wang is a Researcher at the Department of Energy Conversion and Storage at the Technical University of Denmark (DTU) . Their work focuses on atomic-scale modeling of materials for energy applications, particularly perovskite solar cells and quantum emitters in 2D materials. Research Interests Research spans Perovskite solar cell stability and defect passivation Quantum emitter engineering in 2D materials Machine learning for materials discovery Strain engineering in oxide membranes Electronic and vibronic coupling at interfaces Recent Publications Key contributions include 2025: Defect passivation in perovskite photovoltaics 2025: Room-temperature quantum emitters in α-MoO₃ 2024: Spatial conformation engineering for stable perovskite cells with methodologies ranging from first-principles simulations to data-driven approaches.

Tao PangView profile

Professor

• Theoretical Physics
• Computational Physics
• Condensed Matter Physics
• +3 more

Dr. Tao Pang is a full-time Professor of Physics at the University of Nevada, Las Vegas . His research focuses on theoretical and computational methods to study novel materials and structures, including cold atoms, supersolids, and highly correlated quantum systems. Email: tao.pang@unlv.edu Phone: (702) 895-4454 Research Interests : Dr. Pang's group develops and applies path-integral and diffusion quantum Monte Carlo methods to investigate quantum many-body effects in cold atoms/molecules, supersolidity, and correlated systems. Their work includes studying Bose-Einstein condensation, quantum fluctuations in solid helium, and structural properties of clusters. Publication Trends : Recent articles span computational physics, quantum mechanics, and materials science, with a focus on Monte Carlo simulations, first-principles calculations, and low-dimensional systems. Key topics include phase transitions in trapped atoms, quantum cluster dynamics, and electronic/structural characterization of materials.

• Condensed Matter Physics
• Materials Physics
• Nanotechnology
• +3 more

Prof. Dr. Hülya ÖZTÜRK is a Turkish physicist specializing in Condensed Matter Physics , Materials Physics , and Nanotechnology at Kırşehir Ahi Evran University since 2021. She has held academic positions at Gazi University and Ondokuz Mayıs University, with a career spanning computational materials science and experimental collaborations in biomedical research. Education: PhD in Physics (2001), Master’s (1997), and Bachelor’s (1993) from Ondokuz Mayıs University Research: Focuses on high-pressure structural phase transitions in materials like metal dioxides , transition metal carbides , and chalcogenides , using ab initio and molecular dynamics simulations. Her recent work includes investigating structural-electronic correlations in compounds such as SrFCl and PbTe. Collaborations span computational modeling with Cihan Kürkçü (49 joint projects) and biomedical studies with Ahmet Güven in pediatric surgery . She has published over 118 works and received the 2004 Gazi University Publication Award . As an advisor, she has guided 9 doctoral and master’s students in materials science.

Neil DrummondView profile

Senior Lecturer

• Quantum Monte Carlo
• Two-dimensional materials
• Graphene
• +5 more

Neil Drummond is a Senior Lecturer in the Physics Department at Lancaster University, where he conducts research in computational condensed matter physics. He is affiliated with both the Quantum Technology Centre and the Condensed Matter Theory group, focusing on advanced computational methods for studying quantum systems. Dr. Drummond's research interests center on the development and application of quantum Monte Carlo methods for calculating material properties from first principles. His work spans several key areas including two-dimensional materials (particularly graphene, silicene, and transition metal dichalcogenides), materials at high pressure, and electron(-hole) gases. His computational approach enables precise modeling of quantum effects in condensed matter systems that are challenging to study with conventional methods. Analysis of Dr. Drummond's recent publications reveals a strong focus on quantum Monte Carlo techniques applied to two-dimensional electron systems and novel materials. His work consistently addresses fundamental questions about electron correlation, phase transitions, and quasiparticle properties in low-dimensional systems. The research demonstrates increasing computational sophistication, with recent papers exploring GPU acceleration of quantum Monte Carlo codes and reproducibility of computational methods. Dr. Drummond currently supervises two postgraduate research students, James Doughty and Clio Johnson, guiding them in the development and application of quantum Monte Carlo methods. He serves as Principal Investigator for the PAX-HPC (Particles At eXascale On high Performance Computers) project, funded by the Engineering and Physical Sciences Research Council, which runs from December 2021 to March 2025. This project represents significant research funding supporting advanced computational physics research at Lancaster University. Within the Lancaster University research ecosystem, Dr. Drummond contributes to the Quantum Technology Centre, where his computational expertise complements experimental work on quantum materials and devices. His research forms part of the broader condensed matter physics efforts at the university, which spans both fundamental theoretical investigations and potential applications in next-generation electronic materials.

• Diamonds
• Anisotropy
• Two-Dimensional Materials
• +7 more

Emerick Guillaume is a researcher affiliated with the Research Unit in Physics at the Namur Institute of Structured Matter . His work focuses on condensed matter physics and materials science , particularly in diamonds , two-dimensional materials , and surface chemistry .

• Materials Science
• Electron Microscopy
• Nanomaterials
• +4 more

Per Erik Vullum is a Professor at the Norwegian University of Science and Technology (NTNU) with extensive research contributions in materials science, electron microscopy, and related fields. His work spans multiple disciplines including battery technology, semiconductor research, and crystallography. Dr. Vullum's research focuses on atomic-scale imaging , nanomaterials characterization , and advanced electron microscopy techniques . He has made significant contributions to the development of Atomap, a software tool for automated analysis of atomic resolution STEM images. His work bridges fundamental materials science with practical applications in energy storage, semiconductor technology, and advanced manufacturing. His publication record shows consistent high-impact research output with recent work (2022-2024) focusing on: Atomic-scale 3D imaging of dopant atoms in oxide semiconductors Advanced characterization of MXene materials Intermetallic phase growth in dissimilar metal joining Ferroelectric materials with tetragonal tungsten bronze structures Dr. Vullum has received recognition through numerous peer-reviewed publications in high-impact journals, demonstrating his standing in the materials science community. His collaborative work spans multiple departments and institutions, reflecting the interdisciplinary nature of modern materials research. His research has important implications for clean energy technologies, advanced electronics, and materials characterization methodologies. The development of Atomap has particularly enhanced the field's ability to extract meaningful data from complex atomic resolution images.

• Materials Science
• Nanotechnology
• Transmission Electron Microscopy (TEM)
• +5 more

Meng Li is a Staff Scientist at the Center for Functional Nanomaterials within Brookhaven National Laboratory, specializing in in-situ environmental Transmission Electron Microscopy (E-TEM) and related applications. She holds a Ph.D. in Materials Science and Engineering from Xi'an Jiaotong University, China, and a B.E. in Mechanical Engineering from the same institution. Postdoctoral research at the University of Pittsburgh focused on in-situ ETEM studies of copper oxidation and catalytic mechanisms. Research Interests: Meng Li's work centers on advancing atomic-scale understanding of gas-solid reactions in catalysts and corrosion processes. She develops MEMS-based holders for in-situ TEM Data analysis pipelines for operando studies Hardware/software for environmental TEM (gas-cell, liquid-cell, heating, electrical biasing) targeting catalysis, corrosion, and energy materials. Scientific Contributions: Her publications span 2016–2025 and emphasize operando TEM techniques for studying oxidation dynamics, alloy stability, nanowire growth, and battery materials. Key trends include Integration of machine learning with first-principles calculations Environmental cell applications for real-time reaction monitoring Thermal and mechanical behavior of nanomaterials Metal-semiconductor interface analysis Laboratory Affiliations: Meng Li is affiliated with the Center for Functional Nanomaterials at Brookhaven National Laboratory, where she focuses on analytical (S)TEM techniques and MEMS device innovation for in-situ experiments.

• Ultrafast manipulation of electronic properties
• Ultrafast manipulation of magnetic properties
• Ultrafast manipulation of phononic properties
• +4 more

GU Mingqiang is a Research Associate Professor in the Department of Physics at Southern University of Science and Technology (SUSTech) in Shenzhen, China. He received his PhD in Physics from Nanjing University in 2014 under the supervision of Professor Wu Xiaoshan and conducted postdoctoral research at Northwestern University with James Rondinelli as co-advisor. His educational background includes a BS in Mechanical Engineering from South China University of Technology (2004-2008) and a PhD in Physics from Nanjing University (2008-2014), with additional research experience as a Visiting Scholar at Indiana State University (2011-2013). Professor GU's research focuses on exotic electronic states in strongly correlated and topological materials using first-principles calculations. His major research interests include: Ultrafast manipulation of electronic, magnetic, and phononic properties using lasers Band topology and topological structure of material energy bands Design and regulation of strongly correlated oxide materials and topological materials His publication record demonstrates consistent contributions to top journals in condensed matter physics, with research spanning ultrafast control of materials, topological states, and correlated electron systems. His work shows a progression from fundamental superlattice studies to more recent applications of ultrafast techniques for controlling material properties on picosecond timescales. His notable scientific recognition includes: 2020 Shenzhen Overseas High-level (Peacock Plan) Category B Talent Introduction Professor GU has developed innovative computational methods including a density functional theory-based time-dependent density matrix Liouville equation scheme (TDLDFT) for studying charge transfer after photoexcitation and methods for calculating one-dimensional edge states in three-dimensional materials using Wannier orbitals. His research combines theoretical development with experimental collaboration, as evidenced by his publications in journals like Nature Materials and Science.

Oswaldo DieguezView profile

Associate Professor

• Atomistic Simulation of Materials
• Epitaxial Strain Effects
• Magnetoelectric Multiferroics
• +3 more

Prof. Oswaldo Dieguez is an Associate Professor at the Department of Materials Science and Engineering, Iby and Aladar Fleischman Faculty of Engineering, Tel Aviv University. He leads the Atomistic Simulation of Materials Group , focusing on computational studies at the intersection of materials science, physics, and chemistry. His research emphasizes atomistic simulations, epitaxial strain effects, and the design of magnetoelectric multiferroics. Research Areas: Epitaxial strain engineering, magnetoelectric multiferroics, computational materials design, and collaborations with experimentalists on alloys, molecular motors, and clean energy materials. Teaching: Courses in Introduction to Materials Science and Engineering , Physics of Materials , and Atomistic Simulation of Materials . Grants: Supported by the Israel Science Foundation and Tel Aviv University. Scientific Contributions: His work spans first-principles modeling of ferroelectric thin films, strain effects in perovskites, and quantum-mechanical simulations using tools like SIESTA. Recent publications highlight discoveries in ferroelectricity at the nanoscale, magnetic frustration control, and energy storage materials. Students: Mentoring PhD candidates Netanela Cohen, Mariia Mikhailova, and Daniel Potashnikov, alongside MSc student Tatiana Diachenko. Collaborating with experimental teams on metallic alloys, molecular motors, and clean energy materials.

• Condensed Matter Physics
• Materials Science
• Molecular Dynamics
• +6 more

Dr. Alston Misquitta is a Lecturer in Condensed Matter and Materials Physics at the School of Physics and Astronomy, Queen Mary, University of London . His research focuses on intermolecular forces, symmetry-adapted perturbation theory (SAPT), and computational modeling of molecular and solid-state systems. Research Interests Development of ab initio and non-empirical force fields Intermolecular interaction energy decomposition Electronic structure theory applied to molecular and nanoscale systems Crystal structure prediction and validation High-pressure materials science Publication Trends Dr. Misquitta’s publications span computational chemistry, condensed matter physics, and materials science, with a strong emphasis on SAPT-based methods, polarizable force fields, and molecular dynamics simulations for organic and inorganic systems. His work addresses challenges in modeling hydrogen bonding, dispersion interactions, and excited-state phenomena. Contact Information Email: a.j.misquitta@qmul.ac.uk Phone: 020 7882 3427 Room: G Jones 216 Address: 327 Mile End Road, London, E1 4NS