جست‌وجوی استاد و پژوهشگر

• Electrostatic Interactions
• Combustion Chemistry
• Nanoparticle Catalysis
• +۳ مورد دیگر

Efstratios M. Kritikos is a Postdoctoral Scholar Research Associate in the Department of Applied Physics and Materials Science at the California Institute of Technology (Caltech). His office is located in 285 Watson Laboratory (95), and he holds an email address emk@caltech.edu. Kritikos specializes in investigating the interplay between electrostatic fields and complex chemical systems, with a focus on combustion processes, nanoparticle dynamics, and plasma physics. His research employs reactive molecular dynamics simulations to explore phenomena such as iron nanoparticle oxidation, electrostatic catalysis in hydrogen-oxygen combustion, and plasma-catalyzed ice nucleation. Key areas include understanding how external fields influence reaction kinetics, material properties, and phase transitions at the atomic level. Kritikos’s work bridges computational chemistry and engineering applications, addressing challenges in energy systems, environmental science, and materials degradation. His recent studies emphasize the role of electrostatic interactions in hydrocarbon combustion, nanoparticle-catalyzed reactions, and plasma-induced processes. While no explicit awards are listed, his publications reflect cutting-edge contributions to combustion science and nanotechnology. His current projects involve kinetic modeling of microchannel heat transfer and the development of advanced computational frameworks for simulating electrostatic effects in reacting flows. Kritikos collaborates across disciplines within Caltech’s applied sciences community to advance atomistic-level understanding of complex chemical systems.

Avinash M. Dongareمشاهده پروفایل

استاد

• Computational Materials Science
• Materials in Extreme Environments
• Nanostructured Materials Mechanics
• +۵ مورد دیگر

Professor Avinash M. Dongare is a faculty member in the Department of Materials Science and Engineering at the University of Connecticut, with joint appointments in Mechanical Engineering and Physics. He holds a Ph.D. from the University of Virginia (2008). As Director for Graduate Studies, he oversees graduate programs while advancing research in extreme mechanics and materials science. His research focuses on computational modeling of materials behavior under extreme conditions (e.g., shock, high strain rates, pressures, temperatures). Key areas include: (1) atomistic simulations of phase transformations and spall failure in metals, (2) design of nanocrystalline composites for energy applications, and (3) mesoscale modeling of laser-material interactions. He employs advanced methods like molecular dynamics, density functional theory, and machine learning. Notable achievements include the NSF CAREER Award (2015), UTC Professorship (2018-2021), and TMS Young Leader Award (2015). His work bridges theory and experiment, collaborating with institutions like the US Army Research Laboratory and Oak Ridge National Lab. Over 100 peer-reviewed publications and active funding from NSF, DOE, and DOD highlight his impact in materials science. Current projects explore digital twins for materials processing, interfacial effects in layered systems, and ion-intercalation mechanisms in 2D materials. The Dongare Research Group (GEMMS) integrates computational and experimental approaches to address challenges in additive manufacturing and energy storage technologies.

Paulo Sianiمشاهده پروفایل

پژوهشگر

• Theoretical and Computational Chemistry
• Multi-Scale Modeling
• Biomembranes
• +۶ مورد دیگر

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.

Mitia Duerinckxمشاهده پروفایل

دانشیار

• Mathematical Physics
• Partial Differential Equations
• Stochastic Homogenization
• +۷ مورد دیگر

Mitia Duerinckx is an Associate Professor in the Mathematics Department at Université Libre de Bruxelles (ULB), Belgium. He holds a joint appointment as CNRS Research Associate at Université Paris-Saclay (LMO), currently on leave since January 2022. His academic career includes positions as F.R.S.-FNRS Research Associate at ULB (2022-2024), Visiting Assistant Professor at UCLA (2020-2022), and various postdoctoral positions at ENS Lyon and ULB. Professor Duerinckx's research focuses on the role of microstructural disorder in mathematical physics, particularly in deriving effective equations and phenomenological laws of continuum physics rigorously from atomistic models, in the tradition of Hilbert's Sixth Problem. His work combines partial differential equations with tools from probability theory, with specific emphasis on particle systems, homogenization theory, scaling limits, and fluid-structure interactions. His current research is supported by an ERC Starting Grant (2023-2028) titled 'Scaling limits of particle systems and microstructural disorder' (PASTIS). His publication record demonstrates consistent contributions to the mathematical understanding of particle systems, homogenization, and effective properties of disordered media. Recent work includes rigorous derivations of effective sedimentation speed and viscosity for random suspensions, analysis of transport-Stokes models for sedimentation, and applications of hyperuniformity concepts to particle systems. His scientific achievements have been recognized through numerous awards including: ERC Starting Grant (2023) BMS Young Scholar Award (2021) Adolphe Wetrems Prize in Mathematics (2019) LMBP PhD Thesis Award (2019) Aguirre-Basualdo Prize (2018) Olbrechts-Tyteca PhD Thesis Award (2018) Professor Duerinckx actively supervises multiple postdoctoral researchers and research interns, currently including Fabrizio Caragiulo, Corentin Le Bihan, Matthieu Ménard, and Elise Bonhomme. He has established a productive research group focused on mathematical aspects of particle systems and microstructural disorder, supported by substantial research funding including the ERC grant and an ARC Advanced Grant 'Partial Differential Equations in Interaction'. He maintains an active presence in the international mathematical community through invited talks at major conferences and workshops, organization of research events, and service as a referee for leading mathematical journals.

Wenjun Zhengمشاهده پروفایل

استاد

• Computational Biophysics
• Structural Biology
• Molecular Simulation
• +۳ مورد دیگر

Wenjun Zheng is a Professor in the Department of Physics at the University at Buffalo (College of Arts and Sciences). His research focuses on computational biophysics and structural biology, specifically investigating biomolecular functions via multi-scale modeling of molecular dynamics. He employs coarse-grained and atomistic models to study biomolecular 'nanomachines' like motor proteins, ion channels, and ryanodine receptors. His work integrates experimental data with computational models to predict molecular behaviors and guide future experiments. Education: BS in Electrical Engineering, Zhejiang University, China (1995) MS in Physics, Chinese Academy of Sciences (1998) PhD in Physics, Stanford University (2003) Research Interests: Zheng’s long-term goal is to computationally decrypt biomolecular dynamics, particularly in systems like TRPV1, NMDA receptors, and myosin. His methodologies include molecular dynamics simulations, elastic network models, and flexible fitting of experimental data (e.g., cryo-EM, SAXS). He emphasizes multi-scale approaches to balance accuracy and computational efficiency. Publications: Over 100 peer-reviewed articles span topics like ion channel gating, helicase mechanisms, and protein conformational transitions. Recent work explores allosteric modulation of NMDA receptors and cryptic ligand-binding sites prediction using machine learning. Awards: NSF CAREER Award (2010) Advising/Grants: Active in mentoring graduate students and securing funding for computational biophysics projects. Collaborates with experimentalists to validate and refine models. Labs/Teams: Leads a lab focused on computational structural biology, emphasizing interdisciplinary approaches to biomolecular systems.

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

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.

• Mechanical Engineering
• Materials Engineering
• Nanotechnology
• +۴ مورد دیگر

Haifei Zhan is an Adjunct Associate Professor in the School of Mechanical, Medical & Process Engineering at Queensland University of Technology (QUT). His research focuses on nanomaterials, mechanical properties, numerical modelling, and thermal analysis. He holds a PhD from QUT and a Bachelor of Engineering. Research Interests: Zhan’s work spans nanotechnology, materials engineering, and mechanical engineering. Key areas include nanomaterials (e.g., diamond nanothreads, graphene), thermal transport in nanostructures, and computational mechanics. His research often integrates atomistic simulations and experimental validation. Awards & Grants: He has received awards such as the ICACM Young Investigator Award (2018) and the International Young Computational Award (2019). His grants include projects like 'A Novel Multilevel Modelling Framework to Design Diamond Nanothread Bundles' (DP200102546) and 'Breakdown of Hooke’s Law at the Nanoscale' (DP170102861). Publications & Supervision: Over 20+ peer-reviewed articles, including studies on ceramic coatings, graphene heterojunctions, and nanocomposite hydrogels. He has supervised PhD/Master’s projects on nanowire characterization, carbon-based nanosprings, and nanocomposite modelling.

Jiayu Pengمشاهده پروفایل

استادیار

• Materials Science
• Computational Chemistry
• Machine Learning in Materials
• +۴ مورد دیگر

Jiayu Peng is an Assistant Professor in the Department of Materials Design and Innovation at the University at Buffalo, affiliated with the Institute for Artificial Intelligence and Data Science and UB RENEW Institute. He holds a PhD in Materials Science and Engineering from MIT (2022) and a B.Sc. in Applied Physics from the University of Science and Technology of China (2017). His research focuses on combining data science, machine learning, and materials physics to design materials for chemical transformations and energy technologies. Key areas include electrochemical interfaces, catalyst stability, and sustainable materials. His lab develops physics-informed machine learning methods to optimize materials thermodynamics and surface kinetics using atomistic simulations and experimental data. Dr. Peng has been recognized with prestigious awards, including the Forbes 30 Under 30 Asia (2025), IUPAC Green Chemistry Award (2023), and ENFL Future Investigator (2023). His work bridges computational and experimental approaches, emphasizing interdisciplinary training for students in materials modeling, electrochemistry, and AI. His recent publications highlight advancements in machine learning interatomic potentials, cation ordering in perovskites, and confined-water catalysis. He actively collaborates with experimentalists to integrate simulations and data-driven methods for accelerated materials discovery.

• Nuclear Materials Modeling
• Plasma Physics
• Computational Physics
• +۳ مورد دیگر

Dr. Robert Anewandter is an Advanced Nuclear Materials Modelling Research Officer at Bangor University , affiliated with the School of Computing and Electronics . His research focuses on enhancing nuclear fusion reaction rates in hydrated metals through advanced computational methods. He specializes in Monte-Carlo simulations and atomistic modeling to study neutron interactions with materials. Education includes a PhD in Petroleum Engineering from Heriot-Watt University (working with Prof. Sebastian Geiger), where he developed novel methods for CO2 trapping in fractured aquifers. He also holds a Physics Diploma from the University of Hamburg, focusing on verification of underground nuclear explosions. Research interests span nuclear materials design, environmental applications of computational physics, and advanced simulation techniques. Recent work includes a 2024 presentation on Impact of Grain Size Variation of UO2 on Fission Gas Release .

• Computational Physics
• Material Science
• Molecular Dynamics Simulations
• +۳ مورد دیگر

Sami Paavilainen is a University Lecturer in Physics at the Department of Physics, specializing in computational physics and material science. His research focuses on atomistic simulations of nanomaterials, electronic states in nanostructures, and bio-inspired material systems. He holds a Doctor of Science (Technology) from Science and Engineering (2002) and a Master of Science in Engineering Physics (1998). Research interests include molecular dynamics simulations of cellulose nanomaterials, electronic band structures in graphene-like systems, and electron-phonon interactions in nanostructures. His work bridges computational methods with experimental techniques like scanning tunneling microscopy. Recent publications explore molecular graphene properties, cellulose nanofibril behavior, and electronic state formation in atomic vacancies. He actively reviews for journals like Applied Sciences , Carbohydrate Polymers , and Computational Materials Science .

Patrick Cordierمشاهده پروفایل

استاد

• Geophysics
• Materials Science
• Rheology of Earth Materials
• +۷ مورد دیگر

Patrick Cordier is a Professor at the Université de Lille , affiliated with the Faculty of Sciences and the Department of Earth Sciences. He has been a faculty member since 1989 and leads cutting-edge research in the rheology and plastic deformation of Earth materials, particularly mantle minerals such as olivine, bridgmanite, and MgO. His work bridges atomistic simulations and continuum mechanics to model deformation across scales. His research focuses on: Dislocation dynamics and creep mechanisms in deep Earth minerals Grain boundary and disclination modeling High-pressure rheology and plasticity Multiscale modeling from atomistic to continuum levels Electron tomography and microstructural analysis His recent publications span topics such as strain-rate effects in mantle creep, amorphous olivine films, and dislocation climb in quartz, appearing in top journals like Nature , Science Advances , and Acta Materialia . The trend in his articles reveals a strong emphasis on integrating experimental data with computational models to understand mantle dynamics under extreme conditions. He has received prestigious European Research Council (ERC) grants , including the Advanced Grant for the RheoMan project (Grant 787198) and a prior ERC grant (290424), underscoring his leadership in the field. His peer review activities include contributions for Nature and Nature Materials . Patrick Cordier has advised several PhD students, including Riccardo Reali , Billy Clitton Nzogang , and Alexandre Mussi , and collaborates extensively with researchers in France and internationally. He is also associated with the RheoMan compute cluster, a high-performance computing resource dedicated to modeling Earth’s mantle rheology. He maintains an active research presence through project websites (RheoMan, TimeMan) and is verified on ORCID, with a consistent publication record up to 2025.

Kun Luمشاهده پروفایل

دانشیار

• Natural Language Processing
• Information Retrieval
• Text Mining
• +۳ مورد دیگر

Kun Lu is an Associate Professor in the School of Library and Information Studies (an iSchool) at The University of Oklahoma, serving as Co-Director of the Data Scholarship Program. His research focuses on applied natural language processing (NLP), information retrieval, text mining, and science informatics. He develops NLP methods for domains like oncology clinical trials, materials science, and Native American literature analysis. His work emphasizes interdisciplinary applications, including improving patient-clinical trial matching and accelerating materials discovery through machine learning. Dr. Lu teaches courses such as Information Retrieval & Text Mining and Database Design, and has secured grants totaling over $750,000 from NIH and institutional seed funds. Key projects include NIH-funded work on clinical trial optimization ($717,666), seed-funded studies on LLM applications in materials design, and HathiTrust-based Native American literature analysis. His award-winning research includes a 2011 Highly Commended Award for health information retrieval interface evaluation. Publications span 35+ peer-reviewed articles in top journals like Scientometrics , Journal of the Association for Information Science and Technology , and PLOS ONE , with recent focus on generative AI, domain-specific NLP, and scientific literature analysis. Affiliations: School of Library and Information Studies, Data Scholarship Program, Dodge Family College of Arts and Sciences Grants: NIH grant (2024-2026), OU seed funds for materials science and clinical trials projects Research Themes: NLP applications, scientometrics, health informatics, interdisciplinary data science

Paolo Raiteriمشاهده پروفایل

استاد

• Computational geochemistry
• Nucleation and growth in aqueous solution
• Materials for energy storage
• +۵ مورد دیگر

Professor Paolo Raiteri is a distinguished academic at Curtin University, serving as a Professor in the School of Molecular and Life Sciences within the Faculty of Science and Engineering. His research focuses on atomistic simulations and free energy calculations, with applications in materials science and computational geochemistry. He has established himself as an expert in computational approaches to understanding mineral dissolution and growth from solution. PhD in Materials Science, University of Milano-Bicocca (Italy), 1999-2003 B Sc(Hon)/MSc in Materials Science, University of Milano-Bicocca (Italy), 1994-1999 Professor Raiteri's research spans multiple areas of computational chemistry and materials science. His primary expertise lies in computational geochemistry, particularly studying dissolution and growth of minerals from solution. He has developed advanced computational techniques including molecular dynamics simulations, free energy calculations, and force field development. His work bridges theoretical approaches with practical applications in materials for energy storage and biomineralization processes. He maintains expertise in programming (Fortran and scripting languages) to implement and optimize computational methods for complex materials systems. Professor Raiteri's publication record demonstrates consistent contributions to computational materials science, with a focus on mineral-water interfaces, nucleation processes, and force field development. His work often involves collaborative research with international teams, applying advanced simulation techniques to understand fundamental processes in geochemistry and materials science. Recent publications show an expanding scope into areas like perovskite materials and computational workflows for complex systems. 2013 ARC Future Fellowship 2013 Senior Research Fellowship, Curtin University 2011 Visiting Professorship from Regione Sardegna, Italy 2009 Australian Research Council Research Fellowship (ARF) 2008 Targeted Research Fellowship, Curtin University 2002 Young Physicist Award, Italian Physics Society 2001 Young Scientist Award, European Materials Research Society 2001 Young Scientist Award, Italian Institute for the Physics of Matter 1999 PhD Scholarship from the Italian Ministry for University and Scientific Research Professor Raiteri has secured significant research funding through prestigious fellowships including ARC Future Fellowships and Research Fellowships. His research program involves close collaboration with computational and experimental groups worldwide. While specific details of his student supervision aren't provided in the profile, his extensive publication record with multiple co-authors suggests active mentoring of graduate students and postdoctoral researchers in computational materials science. Professor Raiteri's research is conducted within the computational chemistry and materials science community at Curtin University. His work leverages high-performance computing resources for molecular simulations and collaborates with experimental groups to validate computational findings. He is actively involved in developing and applying the PLUMED software for enhanced sampling in molecular dynamics simulations, contributing to an important international computational chemistry initiative.

Laura de Sousa Oliveiraمشاهده پروفایل

استادیار

• Computational Chemistry
• Inorganic Materials Design
• Multi-scale Modeling
• +۱۳ مورد دیگر

Laura de Sousa Oliveira is an Assistant Professor in the Department of Chemistry at the University of Wyoming, with adjunct appointments in the School of Computing and affiliation with the Nuclear Energy Research Center (NERC). She holds the distinguished title of UW Derecho Professor, recognizing her contributions to interdisciplinary research. B.S., 2010, New Mexico Institute of Mining and Technology Ph.D., 2017, University of California, Riverside Postdoctoral Researcher, 2017–2020, University of Warwick, UK Her research centers on computational strategies to understand and design inorganic materials. She leverages atomistic and multi-scale modeling to explore structure-property relationships, with a focus on energy sustainability, environmental applications, and next-generation smart materials. Her group emphasizes collaboration between theory and experiment, develops conceptual models, and integrates uncertainty quantification into predictive frameworks. The Computational Design of Inorganic Materials Lab, which she leads, actively develops software tools and promotes open science. The lab’s work spans semiconductors, nuclear materials, and functional systems for heat management, gas sorption, and sensing. Though no publications or student names are listed, the research program reflects a strong interdisciplinary and impact-driven approach. She is also engaged in teaching and mentoring, with current efforts including the recruitment of a postdoctoral researcher. Her dual affiliation with chemistry and computing highlights her role at the intersection of physical sciences and computational innovation.

• Mechanics of Materials
• Phase Transformations
• High-Pressure Physics
• +۶ مورد دیگر

Valery I. Levitas is the Anson Marston Distinguished Professor in Engineering and Murray Harpole Chair at Iowa State University (ISU), with appointments in Aerospace Engineering, Mechanical Engineering, and Materials Science and Engineering. He is also a Faculty Scientist at Ames National Laboratory. A Fellow of ASME and IAAM, his work bridges mechanics, physics, and material science, focusing on phase transformations, high-pressure mechanochemistry, and multiscale modeling. Education: Dr.-Eng. habil (Continuum Mechanics, University of Hannover, 1995); Sci. Dr. (Continuum Mechanics, Institute for Electronic Machine-building, 1988); PhD (Materials Science, Institute for Superhard Materials, 1981); MS (Mechanical Engineering, Kiev Polytechnic Institute, 1978). His research interests include high-pressure phase transformations under severe plastic deformation, virtual melting as a mechanism for stress relaxation, and phase field approaches to modeling dislocations, fracture, and coupled mechanochemical phenomena. He pioneered theoretical high-pressure mechanochemistry and discovered novel effects like pressure self-focusing and rotational plastic instability for superhard material synthesis. The 15 most recent articles analyze topics such as stress/strain-induced phase changes in silicon and zirconium, deep-focus earthquake mechanisms, and multiscale simulations of nanograin materials. These works emphasize high-pressure physics , nanomechanics , and computational material science using phase field, molecular dynamics, and DFT methods. Scientific awards include the 2023 European Academy of Sciences and Arts election, 2023 IAAM Fellowship, 2017 Khan International Medal for plasticity contributions, and 2007 ASME Fellowship. He has secured $14.9M in grants (including 24 federal awards) for projects on high-pressure material behavior, phase transformations, and synchrotron experiments. His lab at Iowa State collaborates with leading institutions and has produced 15+ PhD/postdoc alumni, including Mahdi Javanbakht (Isfahan University), Hao Chen (East China University), and Krishan Kumar Pandey (Bhabha Atomic Research Center). Research integrates atomistic to macroscale modeling with experimental validation via rotational diamond anvil cells.