Computation — Journal Editorial Boards


Prof. Dr. Karlheinz Schwarz
Theoretical Chemistry Group, Material Chemisty, TU Wien, Technical University Vienna, A-1060 Vienna, Austria
Website | E-Mail
Interests: density functional theory (DFT); electronic structure of solids and surfaces; chemical bonding; spectra; high performance computing; Wien2k code
Special Issues and Collections in MDPI journals
Prof. Dr. Rainer Breitling *
Section Editor-in-Chief
Manchester Institute of Biotechnology, University of Manchester, 131 Princess Street, Manchester, M1 7DN, UK
Website | E-Mail
Interests: computational systems biology; bioinformatics; metabolomics; dynamic modelling; synthetic biology
* Computational Chemistry
Special Issues and Collections in MDPI journals
Prof. Dr. Demos T. Tsahalis *
Section Editor-in-Chief
Learning Foundation in Mechatronics (LFME), Irakleiou 17, GR-11141, Athens, Greece
Website | E-Mail
Interests: mechatronics; unsteady boundary-layers; separation; vortex-induced vibrations; active control; noise; vibrations; health monitoring; structures; human response; modelling; artificial neural networks; multi-objective optimization; genetic algorithms; expert systems; artificial intelligence
* Computational Engineering
Special Issues and Collections in MDPI journals
Prof. Dr.-Ing. habil. Ali Cemal Benim *
Associate Editor-in-Chief
Center of Flow Simulation (CFS), Department of Mechanical and Process Engineering, Duesseldorf University of Applied Sciences, Muensterstr, D-40476 Duesseldorf, Germany
Website | E-Mail
Interests: mathematical modelling; numerical modelling; fluid mechanics; heat and mass transfer; combustion; thermohydraulic machinery; technical applications
* Computational Engineering
Special Issues and Collections in MDPI journals

Editorial Board

Prof. Dr. Ravi P. Agarwal Highly Cited - Clarivate Analytics (formerly Thomson Reuters)
Department of Mathematics, Texas A&M University - Kingsville, 700 University Blvd, Kingsville, TX 78363-8202, USA
Website | E-Mail
Interests: nonlinear analysis; differential and difference equations; fixed point theory; general inequalities
Prof. Dr. Giorgio Ascoli
Center for Neural Informatics, Structure, and Plasticity Molecular Neuroscience Dept., Krasnow Institute for Advanced Study, MS2A1 - George Mason University, Fairfax, VA 22030-4444, USA
Website | E-Mail
Interests: neuroinformatics; computational neuroanatomy; hippocampus; neuron types; axons; dendrites; neuronal morphology
Dr. Pietro Asinari
Multi-Scale Modeling Laboratory, Department of Energy, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Turin, Italy
Website | E-Mail
Interests: computational and statistical physics; transport phenomena in soft matter; molecular dynamics; mesoscopic numerical methods; lattice Boltzmann method; computational fluid dynamics; high performance computing
Prof. Dr. Ivona Brandić
Institute for Software Technology and Interactive Systems, Vienna University of Technology, 1040 Vienna, Austria
Website | E-Mail
Interests: virtualized HPC systems; massive-scale data analytics; energy efficient ultrascale distributed systems; workflow technologies; cloud, web & workflow Quality of Service (QoS); negotiation protocols and standards; service-oriented distributed systems
Prof. Dr. Vince D. Calhoun
The Mind Research Network and Departments of Electrical and Computer Engineering (primary), Neurosciences, Psychiatry and Computer Science, University of New Mexico , 1101 Yale Boulevard, NE, Albuquerque, NM 87106, USA
Website | E-Mail
Interests: brain imaging; independent component analysis; functional MRI; genetics; machine learning; classification
Prof. Dr. Victor Calo
School of Earth and Planetary Sciences (EPS), Curtin University, Bentley, 6102, WA, Australia
Website | E-Mail
Interests: modelling and simulation of geomechanics; fluid dynamics; flow in porous media; phase separation; fluid-structure interaction; solid mechanics; high-performance computing
Dr. Emidio Capriotti
Department of Biological, Geological, and Environmental Sciences (BiGeA), University of Bologna, Via F. Selmi 3 - 2nd Floor, Room 104, Bologna, 40126, Italy
Website | E-Mail
Interests: protein and RNA structure analysis and prediction; protein folding and function; protein stability and kinetic; predicting the impact of protein variants; genotype interpretation
Prof. Dr. Rita Casadio
School of Science, Biocomputing Group, University of Bologna, via Irnerio 42, 40126, Bologna, Italy
Website | E-Mail
Interests: computational biology; bioinformatics; machine learning
Dr. Matt Challacombe
Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA
Website | E-Mail
Interests: fast algorithms in electronic structure, applied mathematics, linear algebra and the information sciences; the generalized n-body problem; bio-molecular simmulation; high performance computing; theoretical and computational chemistry
Prof. Dr. Dick de Ridder
Bioinformatics Group, Wageningen University, Droevendaalsesteeg 1, 6708 PB Wageningen, The Netherlands
Website | E-Mail
Interests: machine learning; data integration; bioinformatics; molecular diagnostics; microbial systems biology
Dr. Fabio Della Sala
Consiglio Nazionale delle Ricerche (CNR) & Italian Institute of Technology (IIT), Via Barsanti, Arnesano 73010, Italy
Website | E-Mail
Interests: density functional theory; quantum chemistry; nanoscience; plasmonics; condensed-matter theory
Prof. Dr. Dimitris Drikakis
Faculty of Engineering, University of Strathclyde, James Weir Bld, JW817, 75 Montrose Str. | Glasgow G1 1XJ, UK
Website | E-Mail
Interests: computational fluid dynamics; fluid mechanics; heat transfer; instabilities, turbulence; fluid/solid interface; micro/nano technology
Prof. Dr. Yalchin Efendiev
Mobil Chair in Computational Sciences, Director of Institute for Scientific Computation (ISC), Department of Mathematics & ISC, Texas A&M University, College Station, TX 77843, USA
Website | E-Mail
Interests: multiscale, porous media, upscaling, flow, transport, multiscale finite element
Dr. Eduardo Fabiano
Institute of Microelectronics and Microsystems - CNR & Italian Institute of Technology (IIT), Arnesano, Italy
Website | E-Mail
Interests: density functional theory; quantum chemistry; nanoscience
Dr. Bruce Gardiner
Engineering Computational Biology, The University of Western Australia, 35 Stirling Hwy, Crawley WA 6009, Australia
Website | E-Mail
Interests: computational modelling of biological systems; including intra and intercellular signalling pathways; cell-tissue interactions; poro-elasticity and transport processes in tissues
Dr. Colin W. Glass
High Performance Computing Center, University of Stuttgart, Nobelstrasse 19, 70569, Stuttgart, Germany
Website | E-Mail
Interests: high performance computing; molecular simulation; parallel programming models; efficient optimization strategies; optimization in materials science
Prof. Dr. Vagelis Harmandaris
Department of Mathematics and Applied Mathematics, University of Crete, Greece; Institute of Applied and Computational Mathematics, Foundation for Research and Technology - Hellas (IACM/FORTH), Greece
Website | E-Mail
Interests: hierarchical multi-scale modeling of soft matter; modeling of biomolecular systems; polymer/solid interfaces; mathematical strategies of coarse-graining; non-equilibrium systems; polymer nanocomposites; mixtures; graphene-based nanostructured materials
Dr. Brendan Howlin
Chemistry Department, FEPS, University of Surrey, Surrey GU2 7XH, UK
Website | E-Mail
Interests: polymer modelling; QSPR; molecular dynamics; molecular mechanics; composites; structural resins; benzoxazines; simulation of charring of polymers; reactive molecular dynamics; molecular orbitals; DFT
Special Issues and Collections in MDPI journals:
Special Issue in Polymers: Simulations of Polymers
Prof. Dr. Qinjun Kang
Computational Earth Science Group, Earth and Environmental Sciences Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA
Website | E-Mail
Interests: flow and transport in porous media; lattice boltzmann method; multiscale modeling; CO2 sequestration; shale gas; energy storage and conversion devices
Special Issues and Collections in MDPI journals:
Special Issue in Computation: Advances in Modeling Flow and Transport in Porous Media
Special Issue in Energies: Flow and Transport Properties of Unconventional Reservoirs
Special Issue in Energies: Flow and Transport Properties of Unconventional Reservoirs 2018
Dr. Sergey A. Karabasov
Queen Mary, University of London, School of Engineering & Materials Science,Mile End Road, London E1 4NS, UK
Website | E-Mail
Interests: fluid dynamics; computational aeroacoustics and aerodynamics; large-eddy simulations; meso-scale ocean modelling; fluctuating hydrodynamics for nano-scale flows; numerical methods for hyperbolic conservation laws
Prof. Dr. Christian Klingenberg
Department of Mathematics, Würzburg University, Emil Fischer Str. 30, Würzburg, 97074, Germany
Website | E-Mail
Interests: mathematical fluid mechanics; compressible gas dynamics; ideal MHD; modeling fluid flow via microscopic interacting particle systems; theory of hyperbolic conservation laws: well-posedness, relaxation limit; numerics for hyperbolic conservation laws: finite volume schemes, approximate Riemann solvers; astrophysical applications
Prof. Dr. Joshua Knowles
School of Computer Science, University of Birmingham, Edgbaston, Birmingham B15 2TT, UK
Website | E-Mail
Interests: heuristics; evolutionary computation; multiobjective optimization; machine learning; design of experiments; computational biology; inverse problems; cheminformatics; bioinformatics
Prof. Dr. Martin Korth
Molecular Projects UG (haftungsbeschraenkt), Mendelstr. 11, 48149 Muenster, Germany
Website | E-Mail
Interests: quantum chemistry; computational chemistry; computational biochemistry; computational electrochemistry; biomolecular interactions; electrochemical energy storage; molecular materials; virtual screening; multi-scale modelling
Prof. Dr. Petros Koumoutsakos
Computational Science, ETH Zurich, Clausiusstrasse 33, CLT, F12, CH-8092, Zurich, Switzerland
Website | E-Mail
Interests: computational Science; high performance computing; fluid dynamics; biology; nanotechnology
Prof. Dr. Manfred Krafczyk
Institute for Computational Modelling in Civil Engineering, TU Braunschweig, Pockelsstr. 3, 38106 Braunschweig, Germany
Website | E-Mail
Interests: CFD, Lattice Boltzmann, distributed computing, GPGPU, HPC, BIM
Special Issues and Collections in MDPI journals:
Special Issue in Computation: Computational Fluid Dynamics in Civil Engineering
Prof. Dr. Markus Kraft
Department of Chemical Engineering and Biotechnology, University of Cambridge, Cambridge, CB2 3RA, UK
Website | E-Mail
Interests: numerical methods; CFD; stochastic particle methods; population balances; combustion; nanoparticles; statistics; global optimization
Prof. Dr. Athanasios Mantalaris
Imperial College London, South Kensington Campus, London, SW7 2AZ, UK
Website | E-Mail
Interests: stem cell bioprocessing; tissue engineering; mammalian cell bioprocessing
Prof. Dr. Jeffrey S. Marshall
School of Engineering, University of Vermont, 33 Colchester Blvd., 301 Votey Hall, Burlington, VT 05405, USA
Website | E-Mail
Interests: computational fluid dynamics; adhesive particle flows; discrete-element modeling; vortex methods; blood flow modeling; algae biofuel; complex systems
Prof. Dr. Pier Luigi Martelli
Alma Mater Studiorum Universita di Bologna, Biocomputing Group, Bologna, Italy
Website | E-Mail
Interests: computational biology; bioinformatics; systems biology; machine learning
Prof. Dr. Pedro Mendes
Center for Quantitative Medicine, UConn Health, 263 Farmington Avenue, MC 6029, Farmington, CT 06030-6033, USA
Website | E-Mail
Interests: computational systems biology; dynamic modeling; stochastic simulation; optimization; parameter estimation; software development; data and model standards; metabolism; cell biology
Dr. Wolfgang Mueller-Wittig
School of Computer Engineering (SCE), Nanyang Technological University (NTU), Nanyang Avenue, Singapore 639798, Singapore
Website | E-Mail
Interests: real-time rendering; virtual reality (VR); augmented reality (AR); visual analytics; visual haptics; shape modeling
Prof. Dr. Graeme Murch
Center for Mass and Thermal Transport in Engineering Materials, School of Engineering, The University of Newcastle, NSW 2308, Australia
Interests: All aspects of computational modelling of mass and thermal transport (diffusion) in materials, Monte Carlo methods, molecular dynamics, ab initio
Dr. Philipp Neumann
Department of Informatics, Scientific Computing, University of Hamburg, Hamburg, Germany
Website | E-Mail
Interests: scientific computing, multiscale simulations, Lattice Boltzmann methods, solver coupling, molecular dynamics, computational fluid dynamics
Prof. Dr. Perumal Nithiarasu
Biomedical Engineering and Rheology Group, Zienkiewicz Centre for Computational Engineering, College of Engineering, Swansea University, UK
Website | E-Mail
Interests: fluid dynamics; finite element method; computational biomedical engineering
Prof. Dr. Dominik Obrist
ARTORG Center for Biomedical Engineering Research, University of Bern, Murtenstrasse 30, 3010 Bern, Switzerland
Website | E-Mail
Interests: biomedical fluid dynamics; hydrodynamic stability; transition to turbulence; aeroacoustics; numerical methods; high performance computing
Prof. Dr. Malgorzata Peszynska
Department of Mathematics, Oregon State University, Corvallis, OR 97331, USA
Website | E-Mail
Interests: numerical analysis for PDEs and integro-differential equations; applications to flow and transport; problems with multiscale and stochastic data
Prof. Dr. Paul Popelier
1. Manchester Institute of Biotechnology (MIB), 131 Princess Street, Manchester M1 7DN, UK
2. School of Chemistry, The University of Manchester, Manchester, M13 9PL
Website | E-Mail
Interests: quantum chemical topology; force field design; peptides; liquid water; bio-isosterism; quantitative structure-activity relationships; allostery; electrostatics; polarisation
Prof. Dr. Dennis Salahub
Department of Chemistry, CMS - Centre for Molecular Simulation, and IQST - Institute for Quantum Science and Technology, University of Calgary, Calgary, Alberta T2N 1N4, Canada
Website | E-Mail
Interests: multiscale modeling; chemical reactions in complex environments; quantum chemistry; density functional theory; QM/MM; molecular dynamics; enzymatic catalysis; electron transfer; nano catalysis
Dr. David Skinner
Lawrence Berkeley National Laboratory, National Energy Research Scientific Computing Center, Berkeley, CA 94720, USA
Website | E-Mail
Interests: theoretical chemistry; quantum reactive scattering; parallel algorithms; high performance computing; in-situ and real-time data analytics; workflow optimization; high throughput computing
Prof. Dr. Sauro Succi
Istituto Applicazioni del Calcolo-CNR, via dei Taurini 19, 00158 Roma, Italy
Institute for Applied Computational Science, J. Paulson School of Engineering and Applied Science, Harvard University, Oxford Street, 33, Cambridge, MA 02138, USA
Website | E-Mail
Interests: statistical physics; computational physics and biology; applied mathematics; classical and quantum fluid dynamics
Special Issues and Collections in MDPI journals:
Special Issue in Entropy: Non-Linear Lattice
Dr. Constantinos Theodoropoulos
School of Chemical Engineering and Analytical Science, University of Manchester, Manchester, M13 9PL, UK
Website | E-Mail
Interests: multi-scale modelling and design of complex chemical and biochemical systems and processes, such as microreactor and fuel cell systems; model-reduction based computational methods for the optimisation and control of large- and multi-scale systems; experimental and computational studies for the construction of sustainable biorefineries co-producing fuels and chemicals
Prof. Dr. Jesus M. Ugalde
Kimika Fakultatea, Euskal Herriko Unibertsitatea, PK 1072, 20080, Donostia, Euskadi, Spain
Website | E-Mail
Interests: quantum molecular electronic structure methods; elementary gas-phase reactivity of transition metal elements; (auto)assembling of nanoclusters; computational modeling of biochemical processes
Prof. Dr. António J. C. Varandas
Departamento de Quimica, Universidade de Coimbra, 3004-535 Coimbra, Portugal
Website | E-Mail
Interests: potential energy surfaces; electronic structure calculations; intermolecular forces; chemical dynamics; non-adiabatic effects; chemistry of atmospheric ozone
Prof. Dr. Vitaly Volpert
Directeur de recherche au CNRS, Institut Camille Jordan, University Lyon 1, 69622 Villeurbanne, France
Website | E-Mail
Interests: partial differential equations; mathematical modelling; population dynamics; biomedical modelling
Special Issues and Collections in MDPI journals:
Special Issue in Computation: Multiscale and Hybrid Modeling of the Living Systems
Special Issue in Computation: Pattern Formation in Population Dynamics
Dr. Richard Alun Williams
Department of Management Science, Lancaster University Management School, Lancaster, LA1 4YX, UK
Website | E-Mail
Interests: computational immunology; agent-based modelling; artificial life; simulation software engineering; complex systems analysis
Prof. Dr. Röbbe Wünschiers
University of Applied Sciences Mittweida, Biotechnology, Computational Biology, Technikumplatz 17, 09648 Mittweida, Germany
Website | E-Mail
Interests: experimental and computational biology; synthetic biology; biogas production; genomics; transcriptomics; data integration; data visualization
Prof. Dr. Shan Zhao
Department of Mathematics, University of Alabama, Tuscaloosa, AL, USA
Website | E-Mail
Interests: high order methods for partial differential equations; finite difference methods; finite element methods; alternating direction implicit (ADI); matched interface and boundary (MIB); mathematical modeling for molecular biology; computational electromagnetics and optics; biomolecular solvation analysis; molecular surface modeling
Back to Top