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Section Board for 'Materials Simulation and Design' (72)

Please see the section webpage for more information on this section.

Prof. Dr. Mikko Alava
Website
Section Associate Editor
NOMATEN Center of Excellence, NCBJ, Poland and Department of Applied Physics, Aalto University, P.O. Box 11100, FIN-00076 Aalto, Espoo, Finland
Interests: statistical physics; multiscale modelling; fracture; plasticity; bio-based materials
Prof. Dr. Gianpiero Colangelo
Website
Department of Engineering for Innovation, University of Salento, 73100 Lecce, Italy
Interests: nanofluids; renewable energy; heat transfer; solar energy; high efficiency heat exchangers; geothermal heat pumps; high efficiency systems in buildings; thermo-photo-voltaic systems; high pressure spray; hybrid vehicles; internal combustion engines
Prof. Dr. Goran Kaluđerović
Website
Department of Engineering and Natural Sciences, University of Applied Sciences Merseburg, Merseburg, Germany
Interests: bioinorganic chemistry; nanomaterials; organometallic chemistry; anticancer drugs
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Wei Zhang
Website
School of Materials Science and Engineering, Xi’an Jiaotong University, Xi’an 710049, China
Interests: phase-change materials; ab initio simulations; materials design; chalcogenides; amorphous phase; non-volatile memory; neuro-inpsired computing
Dr. Oldrich Sucharda
Website
Faculty of Civil Engineering, VŠB – Technical University of Ostrava, L. Podéště 1875, 708 33 Ostrava, Czech Republic
Interests: experimental measurement and testing of building structures; specialized laboratory tests; finite element method; identification of mechanical fracture parameters of composites; application of nonlinear analysis of concrete and steel structures
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Prof. Dr. Tae-Hwan Kim
Website
Department of Quantum System Engineering, Chonbuk National University, 567 Baekjei-daero, Jeonju 54896, Deokjin-gu, Korea
Interests: nanoparticle; self-assembly; soft nanomaterials; complex fluid; phase behavior; small angle scattering
Dr. Vasily Oganesyan
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School of Chemistry, University of East Anglia, Norwich NR4 7TJ, UK
Interests: theoretical chemistry; computational chemistry; molecular dynamics (MD) simulations; magnetic resonance spectroscopy; Electron Paramagnetic Resonance (EPR); soft matter; liquid crystals
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Bin Li
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Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun, China
Interests: luminescent compounds and materials based on pure organic molecules; metal complexes; nanodots; nanocrystals; MOFs and COFs; including both synthesis and application
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Dr. Maja Dutour Sikirić
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Laboratory for Biocolloids and Surface Chemistry, Division of Physical Chemistry, Ruđer Bošković Institute, Bijenička Cesta 54, 10000 Zagreb, Croatia
Interests: calcium phosphates; biomaterials; surfactants; nanomaterials; biomimetics; composite materials
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Dr. Raul D.S.G. Campilho
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Departamento de Engenharia Mecânica, Instituto Superior de Engenharia do Porto, 4200-072 Porto, Portugal
Interests: material joining; adhesive joints; material characterization; polymers; composite materials; advanced manufacturing systems; automation and robotics; industrial design; finite element method; cohesive zone models
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Jae Wung Bae

Department of Metallurgical Engineering, Pukyong National University, 45 Yongso-ro, Nam-gu, Busan 48513, Korea
Interests: structural materials; physical metallurgy; alloy design; mechanical properties
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Konstantinos Tserpes
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Department of Mechanical Engineering & Aeronautics, University of Patras, 26504 Patras, Greece
Interests: computational and experimental strength of materials; advanced composites; nanocomposites; adhesives; nanocryctalline materials; multi-scale modeling; bio-based polymers and bio-composites; shock wave mechanics; structural health monitoring; recycling of composites; life-cycle analysis
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Filippo Cianetti
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Engineering Department, University of Perugia, Perugia, Italy
Interests: system dynamics; multibody simulation; fatigue design; vibration fatigue
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Dr. Junko Habasaki
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Schrödinger K. K., 13F Marunouchi Trust Tower North, 1-8-1 Marunouchi, Chiyoda-ku, Tokyo 100-0005 Japan
Interests: molecular dynamics simulations; structures and dynamics of glasses, glass transition; ionic liquids; polymers
Dr. Ismet Baran
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Faculty of Engineering Technology, University of Twente, 7500AE Enschede, The Netherlands
Interests: fiber-reinforced polymer composites; numerical modeling; process simulations; pultrusion; material characterization
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Prof. Dr. Luis Ramon Domingo
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Department of Organic Chemistry, University of Valencia, 46010 Valencia, Spain
Interests: molecular electron density theory (MEDT); chemical organic reactivity; chemical concepts; structure and reactivity; molecular mechanisms and selectivities; quantum-chemical topology of the electron density
Dr. Qi An
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Department of Chemical and Materials Engineering, University of Nevada-Reno, Reno, NV 89557, USA
Interests: density functional theory; molecular dynamics; mechanical behavior; heterogeneous catalysis
Prof. Dr. Massimiliano Avalle
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DIME—Department of Mechanical, Energy, Management and Transportation Engineering Polytechnic School, University of Genoa, 16145 Genoa, Italy
Interests: materials characterization and modeling; design and optimization of AM structures; cellular materials
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Dr. Michele Bacciocchi
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Dipartimento di Economia, Scienze e Diritto (DESD), University of San Marino, Via Consiglio dei Sessanta, 47891 Dogana, San Marino
Interests: finite element methods; structural mechanics; plates and beams; numerical analysis; laminated composites; multiphase composites; innovative composite materials; functionally graded materials; carbon nanotubes; numerical analysis; non-local theories
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Dr. José F. Bartolomé
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Instituto de Ciencia de Materiales de Madrid (ICMM) - Consejo Superior de Investigaciones Cientificas (CSIC) Sor Juana Inés de la Cruz, 3 28049 Madrid, Spain
Interests: ceramics; ceramic-metal composites; biomaterials; mechanical properties; fatigue; fracture; microstructural characterization
Dr. Mathieu Bauchy
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Physics of AmoRphous and Inorganic Solids Laboratory (PARISlab), Department of Civil and Environmental Engineering, University of California, Los Angeles, CA 90095, USA
Interests: glass; cement; machine learning; molecular dynamics; topology
Prof. Dr. Daniele Botto
Website1 Website2
Politecnico di Torino Department of Mechanical and Aerospace Engineering, Corso Duca degli Abruzzi, 24, 10129 Torino, Italy
Interests: contact mechanics; tribology; aeroengine dynamics
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Dr. Tinh Quoc Bui
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Department of Civil and Environmental Engineering, Tokyo Institute of Technology, 2-12-1-W8-22, Ookayama, Meguro-ku, Tokyo 152-8552, Japan
Interests: computational mechanics; fracture mechanics; composites; functionally graded materials; numerical methods; computational inelasticity; structures
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Dr. Giovanni Cantele
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CNR-SPIN, c/o Universita’ degli Studi di Napoli “Federico II”, Dipartimento di Fisica, Compl. Univ. M.S. Angelo, Via Cintia, 80126 Napoli, Italy
Interests: two-dimensional materials; surfaces and interfaces; nanostructures; Ab initio calculations; density functional theory
Dr. Enrique Casarejos
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Department Mechanical Engineering, University of Vigo, Vigo, Spain
Interests: computational mechanics (material constitutive relations, finite element modeling, damage, genetic algorithms); FRP composites; flexible and viscous materials; scientific instruments; NDT tests (tomography); high vacuum; cryogenics
Prof. Dr. Caterina Casavola
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Department of Mechanics, Mathematics and Management, Politecnico di Bari, Bari, Italy
Interests: composite materials; carbon fiber; reinforced polymers; mechanical characterization; numerical model
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Dr. Ivano E. Castelli
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Department of Energy Conversion and Storage, Technical University of Denmark, Anger Engelundsvej 411, DK-2800 Kgs. Lyngby, Denmark
Interests: density functional theory; atomistic simulations, modelling; batteries; water splitting; (photo)catalysis; photovoltaics; perovskites; solid/liquid interface
Prof. Dr. Kyeongjae Cho
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Department of Materials Science & Engineering, The University of Texas at Dallas, Richardson, TX 75080, USA
Interests: catalysis; materials design; multiscale modeling; 2D semiconductors
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Jae-Hyung Cho
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Division of Light Metal, Korea Institute of Materials Science (KIMS), Seongsan-gu, Changwon-si 51508, Gyeongsangnam-do, Korea
Interests: material characterization; mechanical properties; materials; light alloys
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Prof. Dr. Maria Cinefra
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Department of Mechanics, Mathematics and Management of Politecnico di Bari, via Edoardo Orabona 4, 70126 Bari, Italy
Interests: finite element method; multifield problems; vibroacoustics; fluid–structure interaction; functionally graded materials; piezoelectric materials; metamaterials
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Prof. Dr. Silvia Corezzi
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Department of Physics and Geology, University of Perugia, 06123 Perugia, Italy
Interests: dynamics of disordered materials (liquids, glasses, polymers); supercooled liquids and glasses; chemical and physical vitrification; gelation; microgels; thermoresponsive polymers; aggregation kinetics of soft materials; hydration properties of biomolecules; molecular dynamics simulation
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Prof. Dr. Tomasz Czujko
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Department of Advanced Materials and Technologies, Faculty of Advanced Technologies and Chemistry, Military University of Technology, Gen. S. Kaliskiego 2, 00-908 Warsaw, Poland
Interests: microstructural characterization; nonferrous alloys (Al, Ti, Mg, etc.); intermetallics; additive manufacturing; hydrogen storage
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Prof. Dr. Cristiano De Michele
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Department of Physics, “Sapienza” University of Rome, Piazzale Aldo Moro N. 2, I-00185 Rome, Italy
Interests: self-assembly materials; colloidal liquid crystals; computer simulations; Soft Matter; Monte Carlo; molecular dynamics; colloids; glasses; supercooled liquids; physical gels; coarse-grained models
Prof. Dr. Anna Maria Ferrari
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Department of Chemistry, University of Torino, Via P. Giuria 5, 10125 Torino, Italy
Interests: surfaces and interfaces; materials for catalysis; Li-ion batteries; defects in solids
Prof. Dr. Saurav Goel
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School of Engineering, London South Bank University, London, UK
Interests: precision engineering; thermal spray coating; molecular dynamics; nanomaterials; nature-inspired materials and surfaces; functional application
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Joseph N. Grima
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Department of Chemistry and Metamaterials Unit, Faculty of Science, University of Malta, Msida, Malta
Interests: mechanical metamaterials; materials science; nanomaterials; auxetic materials; negative thermal expansion materials; negative compressibility; biomechanics
Dr. John V. Hanna

Millburn House Magnetic Resonance Centre, Department of Physics, The University of Warwick, Coventry, UK
Interests: materials characterisation; solid state NMR; diffraction techniques; materials modelling; structural disorder
Dr. Maria Harja
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Department of Chemical Engineering, Faculty of Chemical Engineering and Environmental Protection, “Gheorghe Asachi” Technical University of Iasi, D. Mangeron, 73, 700050 Iasi, Romania
Interests: waste capitalization; new materials synthesis and characterization; adsorption; photocatalysis; nanomaterials; geopolymers
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Prof. Dr. Alexander Hartmaier
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Interdisciplinary Centre for Advanced Materials Simulation, Ruhr-Universität Bochum, Bochum, Germany
Interests: micromechanical modeling; fracture; fatigue; crystal plasticity; dislocations
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Dr. Jan Haubrich
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Institute of Materials Research, German Aerospace Center (DLR), Linder Hoehe, 51147 Cologne, Germany
Interests: additive manufacturing; material characterization; processing and part manufacturing strategies; process monitoring; titanium alloys, surfaces and interfaces; surface chemistry and physics; adhesive bonding; theoretical modelling; density functional theory
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Hoon Huh
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Department of Mechanical Engineering, Korea Advanced Institute of Science and Technology, Daejeon, Korea
Interests: dynamic hardening behavior of materials; strain-rate-dependent tension/compression behavior of metals; strain-rate-dependent crash analysis of structures; reference standardization of tensile properties of metals; ductile fracture of materials; hardening behavior and fracture of metals at ultra-high strain-rates
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Jeong-Won Kang
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Department of Transportation System Engineering, Korea National University of Transportation, Uiwang 16106, Korea, and Department of IT and Energy Convergence, Korea National University of Transportation, Chungju 27469, Korea
Interests: molecular dynamics simulations; nanotube; graphene; semiconductor processes and devices
Dr. Mikhail G. Kiselev
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Institute of Solution Chemistry of the Russian Academy of Sciences, Laboratory of NMR Spectroscopy and Numerical Investigations of Liquids, Ivanovo, Russia
Interests: supercritical fluids; IR spectroscopy; NMR spectroscopy; aerogels; solubility; extraction; quantum dots; carbon dots
Special Issues, Collections and Topics in MDPI journals
Dr. Dennis Klug
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Theory and Computation Group, National Research Council of Canada, 100 Sussex Drive, Ottawa, ON K1A 0R6, Canada
Interests: theoretical physics of condensed matter and liquids; physics of ice; high pressure materials properties studies employing experiment and theory
Dr. Antonio Lamura
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Istituto Applicazioni Calcolo – CNR, Via Amendola 122/D, 70126 Bari, Italy
Interests: modeling and simulation; multi-phase fluids; soft matter; hydrodynamics
Prof. Dr. Raffaele Landolfo
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Department of Structures for the Engineering and the Architecture, University of Naples Federico II, Naples, Italy
Interests: steel structures; seismic design of steel structures; connections; lightweight steel construction; cold-formed members; seismic retrofitting of existing buildings; aluminium structures; structural engineering; life-cycle engineering
Prof. Dr. Erdogan Madenci
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Aerospace and Mechanical Engineering Department, The University of Arizona, Tucson, AZ 85721, USA
Interests: peridynamics; modeling and simulation for material behavior and failure
Prof. Dr. Liviu Marsavina
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1. Doctoral School-Domain Dental Medicine of the Victor Babeş, University of Medicine and Pharmacy Timisoara, Timisoara, Romania
2. Department Mechanics and Strength of Materials, Mechanical Engineering Faculty, University Politehnica Timisoara, Timisoara, Romania
Interests: the application of fracture mechanics to engineering structures; fatigue life assessment; experimental fracture mechanics
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Prof. Dr. Georg H. Mehl
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Department of Chemistry, University of Hull, Hull HU6 7RX, UK
Interests: design and synthesis of liquid crystals; new liquid crystal phases; self-organized functional organic-metal nano-composite; photochromism; novel aromatic systems
Dr. Valentina Migliorati
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Dipartimento di Chimica, Universitá di Roma “La Sapienza”, P. le A. Moro 5, 00185 Roma, Italy
Interests: X-ray absorption spectroscopy; reline; choline acetate urea; choline fluoride urea; Molecular Dynamics (MD) simulations; X-ray diffraction; EXAFS; XAS
Prof. Dr. Abbas S. Milani
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School of Engineering, The University of British Columbia, Kelowna, BC, Canada
Interests: textile composites; material constitutive relations; finite element modelling; multicriteria optimization; manufacturing defects and Composites 4.0
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Bicai Pan
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Department of Physics, University of Science and Technology of China, Hefei 230026, China
Interests: tight-binding potential model; molecular-dynamics simulation; first-wall material in nuclear reactors; atomic clusters; abnormal thermal expansion; structural phase transition
Prof. Dr. Ravi Pandey
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Department of Physics, Michigan Technological University, 1400 Townsend Drive, Houghton, MI 49931, USA
Interests: materials theory; multiscale modeling; low dimensional materials; electronic structure theory
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Prof. Dr. Lourdes Pelaz
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Department of Electricity and Electronics, University of Valladolid, Valladolid, Spain
Interests: process simulation; semiconductor atomistic modeling; dopants and defects in semiconductors
Dr. Marek Polanski
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Department of Advanced Materials and Technologies, Military University of Technology, 2 Urbanowicza Street, 00-908 Warsaw, Poland
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Nicola Pugno
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Department of Civil, Environmental and Mechanical Engineering, University of Trento, Via Mesiano, 77, 38123 Trento, Italy
Interests: nanomechanics; nanomaterials; bioinspired materials
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Dr. Paulo Ribeiro-Claro
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CICECO - Aveiro Institute of Materials and Department of Chemistry, University of Aveiro, 3810-193 Aveiro, Portugal
Interests: molecular and supramolecular Structure; molecular modelling; momputational spectroscopy (computationally-assisted analysis of spectra)
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Dr. David A. Roberson
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1. W.M. Keck Center for 3D Innovation, The University of Texas at El Paso, El Paso, TX 79968, USA;
2. Department of Metallurgical and Materials Engineering, The University of Texas at El Paso, El Paso, TX 79968, USA
Interests: materials characterization; additive manufacturing; electron microscopy; failure analysis; polymer compounding
Dr. Andrey Rogachev
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Department of Chemistry, Illinois Institute of Technology, Chicago, IL 60616, USA
Interests: theoretical chemistry; computational chemistry; materials design; polycyclic aromatic hydrocarbons, catalysis
Prof. Dr. Aldo Humberto Romero
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Physics and Astronomy Department, West Virginia University, Morgantown, WV, USA
Interests: computational materials science; electronic structure calculations; materials design and materials data mining
Prof. Dr. Tomasz Sadowski
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Department of Solid Mechanics, Faculty of Civil Engineering and Architecture, Lublin University of Technology, Nadbystrzycka 40 Str., 20-618 Lublin, Poland
Interests: continuum damage mechanics of materials and structures; modelling of ceramic polycrystalline materials; modelling of composites: ceramic and polymer matrix, polymer foams, wood and plywood; fracture mechanics of materials under mechanical loading and thermal shock; plates with damage and sandwich structures; experimental testing of materials and structures under: static, cyclic, thermal and impact loading
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Marek Sierka
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Computational Materials Science, Otto-Schott-Institut für Materialforschung, Friedrich-Schiller-Universität Jena, Löbdergraben 32, D-07743 Jena, Germany
Interests: computational materials science; density functional theory; electronic structure calculations; atomistic simulations; computational chemistry; computational physics; solid state physics; condensed matter; nanostructured materials; low-dimensional materials; polymers
Prof. Dr. Tomasz Strek
Website1 Website2
Institute of Applied Mechanics, Poznan University of Technology, 60-965 Poznan, Poland
Interests: computational mechanics; auxetic; smart materials; finite element analysis; modeling and simulation
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Prof. Dr. DIMOS A. Triantis
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Electronic Devices and Materials Laboratory, Department of Electrical and Electronics Engineering, University of West Attica, 250 Thivon Avenue, 122 44 Athens, Greece
Interests: acoustic emissions technique; dielectric spectroscopy of materials; mechanically stimulated weak electric signals
Prof. Dr. Qian Wang
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Center for Applied Physics and Technology, Department of Materials Science and Engineering, College of Engineering, Peking University, Beijing 100871, China
Interests: 2D materials; carbon-based materials; heterostructures; atomic clusters; electronic properties; magnetism; thermal transport properties
Dr. Pihua Wen
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School of Engineering and Materials Science, Queen Mary University of London, London, UK
Interests: Advanced numerical methods for multi-scale materials modeling; Numerical simulation in aerospace structure manufacturing; Fatigue and fracture mechanics; Functionally graded materials optimization design and analysis; dislocations and cracks in materials
Prof. Dr. Dave Winkler
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Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, Victoria 3052, Australia
Interests: machine learning; computational chemistry; complex systems; drug design; AI; evolutionary methods; peptide mimetics; cancer drugs; materials science; biomaterials; informatics; cheminformatics; corrosion inhibitors; 2D materials; porous materials
Prof. Dr. Bryan M. Wong
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Department of Chemical & Environmental Engineering and Materials Science & Engineering Program, University of California-Riverside, Riverside, CA 92521, USA
Interests: computational materials science; first-principles calculations; electronic properties of materials; optoelectronic properties; density functional theory; time-dependent density functional theory; light-harvesting materials; plasmonic materials; carbon nanotubes; nanowires
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Yingyan Zhang
Website1 Website2
Mechanical and Automotive Engineering, School of Engineering, RMIT University, Bundoora, VIC 3083, Australia
Interests: carbon and graphene related materials; mechanical properties; material characterization; fracture mechanics; heat treatment; molecular dynamics simulation; computational mechanics
Prof. Dr. Božidar Šarler
Website1 Website2
Laboratory for Fluid Dynamics and Thermodynamics LFDT, University of Ljubljana, Ljubljana, Slovenia
Interests: metallic materials; fracture mechanics; materials and manufacture technology; modelling and simulation
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