Editorial Board for section 'Theory and Simulation of Nanostructures'

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

Members (30)

Prof. Dr. Sotirios Baskoutas
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Section Editor-in-Chief
Department of Materials Science, University of Patras, Patra, Greece
Interests: theoretical and computational methods for the study of electronic and optical properties of semiconductor nanostructured materials for optoelectronic and biological applications; synthesis (with physical methods) and characterization of amorphous and nanocrystalline materials for energy, environmental and biological applications
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Ivet Bahar
Website
Section Board Member
Department of Computational & Systems Biology, School of Medicine, University of Pittsburgh 3064 BST3, 3501 Fifth Ave, Pittsburgh, PA 15213, USA
Interests: computational biology; drug discovery; modeling and simulations of molecular systems
Prof. Dr. Gerard T. Barkema
Website
Section Board Member
Utrecht University, Utrecht, The Netherlands
Interests: model and simulate complex systems; materials; infectious disease; transmission; networks
Prof. Dr. Raffaele Barretta
Website
Section Board Member
Prof. Dr. Anatoly Belonoshko
Website
Section Board Member
AlbaNova University Center, 10691 Stockholm, Sweden
Interests: molecular dynamics; extreme conditions; phase transitions; melting
Prof. Dr. Pierre-Francois Brevet
Website
Section Board Member
Institut Lumière Matière, UMR 5306 CNRS and Université Claude Bernard Lyon 1, Lyon, France
Interests: nonlinear optics; nonlinear plasmonics; nanoparticles and nanoclusters; molecules and biomolecules for nonlinear optics; liquids; liquid surfaces and interfaces
Special Issues, Collections and Topics in MDPI journals
Dr. Giovanni Cantele
Website
Section Board Member
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
Prof. Dr. Vincenzo Carravetta
Website
Section Board Member
CNR-IPCF, Institute of Chemical and Physical Processes, via G. Moruzzi 1, I-56124 Pisa, Italy
Interests: quantum chemistry; molecular modeling; computational spectroscopy
Prof. Dr. Yang-Tse Cheng
Website
Section Board Member
Department of Chemical and Materials Engineering, University of Kentucky, F. Paul Anderson Tower, Room 177, Lexington, KY 40506-0046, USA
Interests: nanoindentation modeling and measurements of mechanical properties; growth, structure, and properties of nanostructured materials; microscopic shape memory and superelastic effects; magnetorheological fluids; superhydrophobic and superhydrophilic surfaces; ion-solid interactions and ion beam modification of materials; automotive applications of new materials and processes
Prof. Dr. Cristiana Di Valentin

Section Board Member
University of Milano - Bicocca, Milan, Italy
Interests: DFT; modeling; nanoparticle; nanomedicine; trnaition metal oxides; graphene; 2D materials
Prof. Dr. James Evans
Website
Section Board Member
Division of Chemical & Biological Sciences, Ames Laboratory, Ames, USA
Interests: stochastic modeling and kinetic Monte Carlo simulation; epitaxial thin film growth; coarsening of nanostructures; self-assembly and shape stability of metallic nanocrystals; catalytic nanomaterials
Prof. Dr. Robert A. Evarestov
Website
Section Board Member
Quantum Chemistry Department, Institute of Chemistry, St. Petersburg State University, 7/9 Unievremrsaitneytskaya Naberezhnaya, St Petersburg 199034, Russia
Interests: quantum chemistry of solids; theoretical and computer modeling of nanostructures (nanolayers, nanotubes, nanowires, nanothreads, nanohelicenes); surface symmetry and models; point defects modeling and computer calculations
Dr. Daniele Fazzi
Website1 Website2
Section Board Member
Institut für Physikalische Chemie, Department Chemie, Universität zu Köln, Köln, Germany
Interests: charge-transfer; energy-transfer; excited states; functional materials; materials modeling; DFT; spectroscopy; supra-molecular aggregates; structure-functional properties
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Francisco Javier García Ruiz
Website
Section Board Member
Departamento de Electrónica y Tecnología de Computadores, Facultad de Ciencias, Universidad de Granada, 18071 Granada, Spain
Interests: nanoelectronics; optoelectronics; devices characterization; simulation; 2D materials; neuromorphic electronics/computing; graphene
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Tatiana E. Itina
Website
Section Board Member
Institute of Engineering and Systems Sciences (INSIS), French National Center for Scientific Research (CNRS), 75016 Paris, France
Interests: laser-matter interactions; multi-scale modelling; nanotechnology
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Hong Seok Kang
Website
Section Board Member
Department of Nano & Advanced, Jeonju University, Chonju 55069, Chonbuk, Korea
Interests: the electronic; physical; and catalytic properties of 2D materials; first-principles; DFT calculation; electrochemical/photoelectrochemical reduction of water and CO2
Prof. Dr. Xiaoyan Li
Website1 Website2
Section Board Member
Department of Engineering Mechanics, Tsinghua University, Beijing 100084, China
Interests: carbon materials; nanostructured materials; energy storage materials and mechanical metamaterials
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Konstantin M. Neyman
Website
Section Board Member
Department de Ciència dels Materials i Química Física and the Institut de Química Teòrica i Computacional, Universitat de Barcelona, 08028 Barcelona, Spain
Interests: computer modelling; electronic structure; advanced materials; nanostructures; reactivity; catalysis; hydrogen technology; energy storage; surface phenomena; understanding at the atomic level
Prof. Dr. Manuel M. Piñeiro
Website
Section Board Member
Department of Applied Physics, University of Vigo, 36310 Vigo, Spain
Interests: characharacterization of nanofluids; molecular simulation; fluid phase theories and modelling; interfacial properties, confined fluids
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Nicola M. Pugno
Website
Section Board Member
1. Laboratory of Bio-inspired, bionic, nano, meta Materials and Mechanics, University of Trento, Trento, Italy
2. School of Engineering and Materials Science, Queen Mary University of London, London, UK
Interests: Bio-inspired; bionic, nano, meta Materials and Mechanics
Prof. Dr. Tomasz Puzyn
Website1 Website2
Section Board Member
Environmental Chemometrics, Faculty of Chemistry, University of Gdansk, Wita Stwosza 63, 80-308 Gdansk, Poland
Interests: nanoinformatics; chemoinformatics; bioinformatics; computational nanotoxicology; predicting phys-chem properties of nanoparticles; predicting transport and fate of nanoparticles; multicomponent nanoparticles; advanced materials; smart materials; materials safe-by-design; computational methods for risk assessment; new generation risk assessment (NGRA)
Prof. Dr. Alejandro D. Rey
Website
Section Board Member
Chemical Engineering, McGill University, 845 Sherbrooke St W, Montreal, QC H3A 0G4, Canada
Interests: computational material science; soft matter
Prof. Dr. Alexander Shluger
Website
Section Board Member
Department of Physics & Astronomy, Faculty of Maths & Physical Sciences, University College London (UCL), Gower St, London WC1E 6BT, UK
Interests: computer simulations; insulators; defects; amorphous solids; electronic structure; interfaces; grain boundaries
Prof. Dr. Olivier Thomas
Website
Section Board Member
Aix Marseille Univ, CNRS, Institut Matériaux Microélectronique et Nanosciences de Provence, CEDEX 20, 13397 Marseille, France
Interests: mechanical properties of nano-objects; elasticity; plasticity; X-ray diffraction; synchrotron radiation; nanowires; nanostructures
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Frederik Tielens
Website
Section Board Member
General Chemistry (ALGC), Materials Modelling Group, Vrije Universiteit Brussels, 1050 Brussels, Belgium
Interests: density functional theory (DFT); silica-based materials; noble metals; bio- and biological materials; theoretical chemistry; computational chemistry; materials characterization at the atomic/molecular level
Special Issues, Collections and Topics in MDPI journals
Dr. Francesco Tornabene
grade Website
Section Board Member
Department of Innovation Engineering, University of Salento, 73100 Lecce, Italy
Interests: theory of shells, plates, arches, and beams; generalized differential quadrature; FEM; SFEM; WFEM; IGA; SFIGA; WFIGA; advanced composite materials; functionally graded materials; nanomaterials and nanotechnology
Special Issues, Collections and Topics in MDPI journals
Dr. Francisco Torrens
Website
Section Board Member
Institut Universitari de Ciència Molecular, Universitat de València, Edifici d’Instituts de Paterna, P.O. Box 22085, E-46071 València, Spain
Interests: physical chemistry; theoretical chemistry; computational chemistry; modelling and simulation; computer-aided drug design and development
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Eugenia Valsami-Jones
Website
Section Board Member
Prof. Dr. Graeme Watson
Website
Section Board Member
School of Chemistry and CRANN, Trinity College, Dublin 2, Ireland
Interests: surfaces structure; reactivity and catalysis; structure and electronic structure of ceramics and energy materials including batteries; solid oxide fuel cells; transparent conductors; photovoltaics and thermoelectrics
Dr. Martijn Wubs
Website
Section Board Member
Danmarks Tekniske Universitet, Lyngby, Denmark
Interests: nanophotonics; nanoscale quantum optics; two-dimensional materials; plasmonics; light-matter interaction; quantum emitters
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