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Christopher SchuhView profile

Professor

• Materials Science
• Metallurgy
• Nanomaterials
• +5 more

Christopher Schuh is the John G. Searle Professor of Materials Science and Engineering at Northwestern University, serving as Dean. His research focuses on structural materials, including metals and ceramics, emphasizing disorder control in microstructures to optimize mechanical properties. He leads the Schuh Group, combining experiments, theory, and simulations to study processing-structure-property relationships. Schuh is a serial entrepreneur, co-founding Xtalic Corporation (nanocrystalline coatings) and Desktop Metal (3D metal printing). His work spans over 250 publications in journals like Science and Acta Materialia . Education: BS in Materials Science and Engineering, University of Illinois at Urbana-Champaign PhD in Materials Science and Engineering, Northwestern University Research Interests: Schuh's group explores nanocrystalline alloys, grain boundary engineering, microparticle impact dynamics, and shape memory ceramics. His innovations include nanocrystalline coatings for electronics and scalable additive manufacturing techniques. Recent projects involve quantifying plasticity in extreme strain rates and developing alloys for rapid sintering. Awards: Fellow of ASM International Fellow of the Minerals, Metals and Materials Society Member of the National Academy of Inventors Member of the National Academy of Engineering Grants & Advising: Schuh oversees a lab with active PhD students (e.g., Tyler Lucas, Daniel Ng) and collaborates on projects like the 'B09-NANO for Industry 3' initiative. His grants fund research into microstructural evolution and cold spray technologies. Labs & Teams: The Schuh Group operates at the intersection of academia and industry, with a focus on translational research. Current projects include shape memory ceramics and high-velocity microparticle impact analysis.

Mikko HakalaView profile

Researcher

• Materials Science
• Computational Physics
• Surface Physics
• +3 more

Mikko Hakala is a Researcher at the School of Science, Aalto University. His expertise lies in materials science and computational physics, focusing on surface physics, electronic transport, and first-principles modeling. He holds a Master's degree from Helsinki University of Technology (2004) and a Doctoral Thesis from Aalto University (2013). Research interests include the study of metal adatoms on surfaces, interfacial oxide growth in silicon-based materials, and numerical methods for electron transport in nanostructures. His work integrates theoretical modeling with experimental insights, contributing to semiconductor device applications and nanotechnology. Notable contributions include studies on silicon-hafnia interfaces and alkali halide surface dynamics. He has organized workshops such as 'Scientific Computing in Practice' (2017) and presented at international conferences like the International Supercomputing Conference (2011). Awarded a project grant as Principal Investigator for CodeRefinery/Darst (2021), his collaborative efforts span computational materials science and interdisciplinary research. No scientific awards are explicitly listed in the provided information.

Qiang CuiView profile

Professor

• Computational Biophysics
• Molecular Dynamics
• Chemical Physics
• +2 more

Qiang Cui is Professor of Chemistry at Boston University specializing in computational biophysics and molecular simulations. His research employs multi-scale modeling approaches to study biological systems including membrane remodeling, protein allostery, and enzyme mechanisms. Recent work advances force field development (CHARMM/DFTB+), membrane biophysics, and machine learning applications in molecular biophysics. Publications demonstrate strong methodological focus on QM/MM techniques, free energy calculations, and integrated experimental-computational approaches. Ongoing investigations include lipid membrane interactions with nanoparticles, synaptic fusion mechanisms, photosynthetic energy transfer, and allosteric regulation in proteins.

Sahar SharifzadehView profile

Associate Professor

• Materials Science
• Quantum Mechanics
• Electronic Structure Methods
• +3 more

Sahar Sharifzadeh is an Associate Professor in the Department of Electrical & Computer Engineering at Boston University's College of Engineering. She holds an affiliation with the Boston University Institute for Global Sustainability (IGS). Her research focuses on predicting and understanding functional material properties using first-principles electronic structure methods, aiming to design novel materials for energy and technology applications. She earned her PhD in Electrical Engineering from Princeton University, an MA from Princeton, and a BS in Electrical Engineering from UC Berkeley. Her research group develops computational frameworks to model quantum mechanical phenomena in materials, including nanotubes, semiconductors, and biological systems. Recent work emphasizes machine learning integration and defect engineering in materials. She has contributed to software tools like Nexmd v2.0 for molecular dynamics simulations. Her advising and grants focus on training researchers in interdisciplinary computational methods. She collaborates with the IGS to advance sustainable energy technologies through material innovation.

Phil HasnipView profile

Research Fellow

• Research Software Engineering
• Materials Modelling
• Computational Materials Science
• +3 more

Dr. Phil Hasnip is an EPSRC Research Software Engineering Fellow at the University of York's School of Physics, Engineering and Technology. His work focuses on developing robust software tools for materials modeling, particularly through the CASTEP program, and promoting Research Software Engineering (RSE) skills globally. He holds a PhD from the University of Cambridge and has extensive postdoctoral experience. Research Interests: Combines computational methods with materials science to solve complex problems in energy, electronics, and advanced manufacturing. Specializes in quantum mechanical simulations, high-performance computing (HPC), and software engineering for scientific research. Key projects include optimizing CASTEP for emerging architectures and enhancing exascale readiness through the Particles at Exascale (PAX) initiative. Grants & Awards: EPSRC Fellowship (2018–2023) supports software improvements for materials modeling and RSE advocacy. Collaborates with NVIDIA, ARM, and national facilities like Diamond Light Source. Teaching: Advanced computational methods, Linux, LaTeX, and scientific communication. Labs/Teams: Leads the Research Software Engineering Group at York, collaborating with interdisciplinary teams on software frameworks like BOUT++ for fluid simulations. Future Work: Expanding software accessibility for non-specialists and advancing exascale-ready computational tools.

Bolin LiaoView profile

Associate Professor

• Nanoscale Energy Transport
• Thermal Sciences
• Sustainable Energy Technologies
• +5 more

Dr. Bolin Liao is an Associate Professor in the Department of Mechanical Engineering at the University of California, Santa Barbara (UCSB) , affiliated with the College of Engineering. His research focuses on nanoscale energy transport phenomena and their applications in sustainable energy technologies. He leads the Transport for Energy Applications Laboratory (TEALab), which develops advanced experimental and computational tools to study energy conversion at atomic scales. Education: PhD in Mechanical Engineering, Massachusetts Institute of Technology (MIT) BS in Microelectronics, Tsinghua University Research Interests: Nanoscale energy transport in electronic/photonic materials Thermoelectric and photovoltaic device optimization Ultrafast optical/electron microscopy (SUEM, TDTR) Multiscale simulation of carrier interactions Applied clean energy systems design Awards: Young Investigator Awards (ONR, AFOSR) Early Career Awards (DOE, NSF) Hellman Family Faculty Fellowship Advising & Grants: Actively mentoring graduate students and postdocs in mechanical engineering, materials science, and physics. Current funding includes major grants from NSF, DOE, and ONR. Lab opportunities available for undergraduates, graduate students, and visiting scholars. Lab Activities: TEALab operates at the intersection of fundamental physics and applied engineering, with projects spanning computational modeling (first-principles simulations), experimental techniques (ultrafast microscopy), and device prototyping for clean energy applications.

• Materials Science
• Catalysis
• Nanotechnology
• +3 more

Jin Chen is an Associate Research Scientist at the Yale School of Medicine and holds an Associate Professor position at Huazhong University of Science and Technology. He specializes in surgical education and training, with clinical roles including Deputy Chief Physician and Doctor-in-Charge at Tongji Hospital. His academic journey includes a PhD and MD from Huazhong University, alongside a visiting scholar stint at the University of Kentucky. Dr. Chen’s research focuses on advanced materials science, catalysis, and nanotechnology, with notable contributions to 2D materials, electrochemical processes, and MXene-based systems. His work bridges theoretical simulations and practical applications, addressing challenges in energy conversion and environmental sustainability. Education includes a PhD and MD in Otolaryngology-Head and Neck Surgery (Huazhong University, 2013), an MS in the same field (2010), and an MD in Clinical Medicine from Wuhan University (2007). He has received awards such as the Honor Graduate Student/Postdoctoral Fellow Travel Award and an International Award from the Association for Research in Otolaryngology. His research interests span catalytic mechanisms for CO2 reduction, nanomaterial growth dynamics, and computational modeling of materials. Recent publications highlight innovations in single-atom catalysts, graphene applications, and MXene superconductors. Dr. Chen’s contributions are pivotal in advancing nanotechnology’s role in energy and environmental solutions. Awards: Travel Award (2013), International Research Recognition (2013). Grants & Funding: Details not explicitly provided in text. Labs/Teams: Affiliated with surgical education teams at Yale and research groups at Tongji Hospital, though specific lab names are not mentioned.

Paulo SianiView profile

Researcher

• Theoretical and Computational Chemistry
• Multi-Scale Modeling
• Biomembranes
• +6 more

Dr. Paulo Siani is a Researcher at the University of Milano-Bicocca, Italy, specializing in multi-scale modeling of biomembranes and drug design. His research focuses on coarse-graining modeling, atomistic simulations, and bioinorganic nanosystems for biomedical applications. He holds a PhD in Theoretical and Computational Chemistry from the University of São Paulo, Brazil (2018), and conducted a Visiting PhD at the University of Southern Denmark (2015–2016). Education: PhD in Theoretical and Computational Chemistry, University of São Paulo (2014–2018) MSc in Theoretical and Computational Chemistry, University of São Paulo (2012–2014) BSc in Chemistry, State University of Maringá, Brazil (2008–2012) Research Interests: Dr. Siani’s work bridges computational chemistry and nanomedicine, with emphasis on molecular dynamics simulations of lipid systems, nanoparticle-membrane interactions, and functionalized nanodevices for targeted therapies. His ERC-funded project (SMART BIOINORGANIC HYBRIDS FOR NANOMEDICINE) explores novel hybrid systems for photodynamic therapy and drug delivery. Key Projects: ERC Consolidator Grant 2016–2021: Developing bioinorganic hybrids for nanomedicine applications Labs/Teams: Active member of the NanoQLab at the University of Milano-Bicocca, focusing on computational nanomedicine and multi-scale modeling.

• First-Principles Calculations
• Semiconductor Surfaces
• Epitaxial Growth
• +4 more

Liverios Lymperakis is an Associate Professor in the Physics Department at the University of Crete. He earned his BSc (1997) and MSc (2000) in Physics from Aristotle University of Thessaloniki, and PhD from Universität Paderborn (2005) for work at Max Planck Institute. His career includes leadership roles at Max Planck Institutes in Berlin and Düsseldorf (2000-2022) before joining University of Crete in 2022. Research develops first-principles methodologies for nanoscale materials design with emphases on: Surfaces and epitaxial growth of compound semiconductors Quantum wells and nanostructures Extended defects and grain boundaries Computational materials discovery Publications showcase advancements in computational materials science, particularly ab initio modeling of III-Nitride surfaces, defect energetics, and growth mechanisms. Recent work focuses on dislocation physics, surface passivation schemes, and machine learning interatomic potentials for predicting mechanical properties.

Constantia AlexandrouView profile

Professor

• Lattice Quantum Chromodynamics
• Hadron Structure
• High Performance Computing
• +4 more

Professor Constantia Alexandrou is a distinguished physicist at the Department of Physics, School of Natural and Applied Sciences, University of Cyprus. She leads state-of-the-art research in Lattice Quantum Chromodynamics and hadron structure, heading the Lattice QCD Computational Lab at the university. Professor Alexandrou serves as Chair of the Council of PRACE (Partnership of Advanced Computing in Europe), is a member of multiple prestigious scientific councils including the National Council for Research in Greece and the Helmholtz-Institute Mainz, and represents Cyprus at IUPAP. B.A. in Physics with First Class Honors from University of Oxford (1980) Ph.D. in Theoretical Strong Interactions Physics from MIT (1985) Research positions at Paul Scherer Institute, Switzerland and Erlangen University, Germany Professor Alexandrou's research focuses on Lattice Quantum Chromodynamics, hadron structure, and high-performance computing applications in theoretical physics. Her work bridges fundamental particle physics with advanced computational techniques, particularly in studying nucleon properties and quantum chromodynamics from first principles. She has pioneered methods for calculating parton distribution functions, hadronic vacuum polarization, and nucleon spin decomposition using lattice techniques, contributing significantly to our understanding of strong interaction physics. Her recent work has expanded into quantum computing applications for high-energy physics problems. Analysis of Professor Alexandrou's recent publications reveals a consistent focus on advancing lattice QCD methodologies for calculating fundamental properties of hadrons and nucleons. Her work spans both traditional lattice calculations and emerging quantum computing applications, demonstrating leadership in adapting computational physics to new technological frontiers. The publications show particular emphasis on precision calculations of nucleon structure, hadronic contributions to fundamental constants, and developing non-perturbative methods for quantum field theory. Fellow of the American Physical Society Principal Investigator of three European Joint Doctorates (approximately €3.7 million each) Principal Investigator of Excellence Center Quantum Computing for Science and Technology (QSciTec) under Teaming action (€35 million) Professor Alexandrou has secured approximately €15 million in competitive funding for the Computational-based Science and Technology Research Center of the Cyprus Institute, including two ERA Chair projects of €2.5 million each. She has served as the first Head of the Department of Physics at the University of Cyprus and held leadership positions at the Cyprus Institute from 2004-2022. With over 300 scientific publications and numerous invited talks at international meetings, she has organized several workshops in Cyprus and abroad, significantly contributing to the international lattice QCD community through the Extended Twisted Mass Collaboration (ETMC). She heads the Lattice QCD Computational Lab at the University of Cyprus, which operates dedicated computing clusters for lattice QCD calculations. As a member of the Extended Twisted Mass Collaboration (ETMC) - comprising major European and US research groups - she plays a key role in advancing international collaboration in computational particle physics. Her leadership extends to multiple scientific advisory bodies where she influences research directions in high-performance computing and theoretical physics across Europe.

• Condensed Matter Physics
• Quantum Mechanics
• Strongly Correlated Electron Systems
• +7 more

Gayanath W. Fernando is a Professor in the Department of Physics at the University of Connecticut , where he has been since 1991. His research focuses on condensed matter physics using quantum mechanical principles , particularly in strongly correlated electron systems , high-temperature superconductivity , and topological materials . He has authored a book on Metallic Multilayers and Their Applications (Elsevier, 2008) and is currently working on a new book on Time Dependent Single and Many Electron Systems (World Scientific). Research Interests : Fernando's work explores the electronic, magnetic, and structural properties of materials through first-principles calculations and computational methods. Key areas include Hubbard nanoclusters , perovskites , double-perovskites , and organic charge-transfer salts , with applications in nanomaterials and quantum technology . Publication Trends : His recent articles analyze Mott insulators , magnetic frustration , and thermal expansion properties of perovskites like TiF3, as well as Floquet-driven phases and symmetry-breaking mechanisms in low-dimensional systems. These studies often combine exact diagonalization and statistical mechanics to map phase diagrams and pairing instabilities.

Shuai ZhigangView profile

Professor

• Theoretical Chemistry
• Materials Science
• Organic Semiconductors
• +5 more

Prof. Shuai Zhigang is a leading academic in theoretical and computational chemistry, holding dual professorships at Tsinghua University and The Chinese University of Hong Kong, Shenzhen. His expertise spans optoelectronic materials, excited-state dynamics, and organic semiconductors. He has held prestigious positions such as Changjiang Scholar Chair Professor and is a Fellow of the Royal Society of Chemistry and Foreign Member of the Academy of Europe. Education: BS in Physics, Zhongshan University (1983) MS in Solid State Physics, Wuhan University & Jinan University (1986) PhD in Theoretical Physics, Fudan University (1989) Research Focus: Excited states decay theory, organic light-emitting diodes (OLEDs), charge/heat transport in organic semiconductors, photovoltaics, and thermoelectrics. His work integrates quantum chemistry and first-principles methods to predict optoelectronic properties of materials. Publications: Over 300 publications, including seminal work on graphene electronic properties, PEDOT thermoelectricity, and aggregation-induced emission phenomena. His research bridges theoretical insights with practical applications in organic electronics. Awards: 2004: Hundred-Talent Program Top 20%, CAS 2004: Outstanding Young Investigator Award, NSFC 2008: Changjiang Scholar Chair Professor 2009: Royal Society of Chemistry Fellowship 2011: Foreign Member, Academy of Europe Grants & Leadership: Led major projects on quantum chemistry methods and served on editorial boards of Acta Chimica Sinica , Journal of Materials Chemistry C , and others. Active in international organizations like IUPAC and WATOC. Labs & Teams: Leads the Shuai Group, focusing on computational studies of organic optoelectronics. Collaborates globally on conferences like the International Congress of Quantum Chemistry.

Feng GaoView profile

Assistant Professor

• High Entropy Alloys
• Fuel Cell Catalysts
• Magnetism Simulation
• +3 more

Feng Gao, Ph.D., is an Assistant Professor in the Department of Computer Science at Southern University and A&M College, affiliated with the High Performance Computing Lab. He holds a Ph.D. in Condensed Matter Physics from Shandong University (2011), an M.S. in Atomic and Molecular Physics from Ludong University (2007), and a B.S. in Physics from Dezhou University (2004). His research focuses on high-pressure/temperature studies of high entropy alloys, non-precious-metal catalysts for fuel cells, and magnetism simulation in materials. Dr. Gao has extensive experience in computational modeling, including first-principles simulations and experimental validation of material properties. He has contributed to over 10 peer-reviewed publications and a patent on carbon nanostructure synthesis. His work bridges computational physics with practical applications in energy and materials science. Professional experience includes roles as a Postdoctoral Research Associate (2011-2014), Full-Time Adjunct Professor (2015-2019), and his current tenure-track position since 2020. His research trends emphasize interdisciplinary approaches to material design, with recent work targeting biomedical applications of high-entropy alloys and catalyst efficiency in fuel cells. Grants and funding details are not explicitly stated, but his publications suggest active engagement in federal or institutional research programs. Dr. Gao collaborates with the Louisiana Optical Network Initiative (LONI) and leads projects in the High Performance Computing Lab, focusing on advanced computational infrastructure for material discovery.

• Computational Materials Science
• Nanomaterials
• Nanotechnology
• +3 more

Alper Buldum is a Professor in the Department of Mechanical Engineering at the University of Akron's College of Engineering and Polymer Science. He joined the university in 2001 after completing his BS, MS, and PhD in Physics at Bilkent University, Turkey, followed by postdoctoral research at the North Carolina Center for Nanoscale Materials. He has held visiting scientist roles at IBM Almaden Research Laboratories and Harvard University's Department of Chemistry and Biochemistry. His research focuses on computational materials science, nanomaterials properties, and energy storage applications, supported by NSF and NIH grants. With over 50 publications and an h-index of 23, his work has been highlighted in talks by Nobel laureate Richard Smalley. Education : BS, MS, and PhD in Physics, Bilkent University, Turkey (1993-1998) Postdoctoral Research Associate and Research Assistant Professor, University of North Carolina at Chapel Hill (2001) Research Interests : Dr. Buldum investigates the mechanical, electronic, and transport properties of nanomaterials, including graphene, carbon nanotubes, and nanocomposites. His work addresses nanotribology, energy storage systems (e.g., lithium batteries), and molecular modeling of argyrodite electrolytes. He employs computational methods like first-principles calculations and molecular dynamics simulations to explore these phenomena. Grants & Contributions : His research has been funded by NSF and NIH grants. His studies on graphene-lithium interactions and nanotube heterostructures have advanced understanding of energy storage mechanisms. Collaborations with industry and academia (e.g., IBM, Harvard) enhance his experimental validation capabilities. Labs & Teams : While no specific lab name is mentioned, his work aligns with nanotechnology and materials science groups at the University of Akron. His interdisciplinary approach bridges physics, chemistry, and engineering disciplines.

Peihong ZhangView profile

Professor

• Condensed Matter Theory
• Ab Initio Calculations
• Materials Design
• +7 more

Peihong Zhang is a Professor in the Department of Physics at the University at Buffalo, SUNY. He holds a PhD in Condensed Matter Physics from Pennsylvania State University (2001) and has held academic positions since 2005, advancing from Assistant Professor (2005-2011) to Associate Professor (2011-2016) before becoming a full Professor in 2016. His research focuses on computational materials design, ab initio electronic structure calculations, and the study of nanostructured materials. Key areas include quasiparticle properties, excitonic effects, and phase transitions in 2D materials. He has contributed to the development of efficient GW methods for large-scale simulations and has explored applications in energy materials, optoelectronics, and defect physics. Education : B.S., Physics, Xiamen University, China (1993) M.S., Atomic & Molecular Physics, Institute of Physics, Chinese Academy of Sciences (1996) Ph.D., Condensed Matter Physics, Pennsylvania State University (2001) Ph.D. minor, High-Performance Computing, Penn State (2001) Research Interests : Zhang’s work integrates theoretical and computational methods to predict and design novel materials. His team investigates electronic and structural properties using advanced techniques like GW approximations and LSDA+U methods, with applications to semiconductors, MXenes, and layered materials. Recent studies highlight excitonic effects in monolayers (e.g., C₃N and C₃B), strain-induced phase transitions in SnSe, and machine-learning approaches to materials discovery. His research emphasizes bridging fundamental theory with practical applications in energy and optoelectronics. Awards & Honors : NSF CAREER Award (2010) American Chemical Society Doctoral New Investigator Award (2009) Xerox Award for Outstanding PhD Thesis in Materials (2001) Grants & Collaborations : Zhang has received funding from NSF, DOE, and the Petroleum Research Fund. His collaborations include projects on materials informatics, thermoelectric materials, and defect engineering. His lab actively contributes to open-source computational tools for electronic structure analysis. Labs & Teams : Zhang leads a research group focused on computational materials science. His team’s work is housed in the Department of Physics at UB, with affiliations to the RENEW Institute and the Center for Materials Informatics.