Topical Advisory Panel for section 'Computational Catalysis'
- Catalytic Materials Section
- Environmental Catalysis Section
- Photocatalysis Section
- Electrocatalysis Section
- Nanostructured Catalysts Section
- Catalysis in Organic and Polymer Chemistry Section
- Biocatalysis Section
- Biomass Catalysis Section
- Computational Catalysis Section
- Catalytic Reaction Engineering Section
- Industrial Catalysis Section
- Catalysis for Sustainable Energy Section
- Catalysis for Pharmaceuticals Section
Please see the section webpage for more information on this section.
Members
Centro Singular de Investigaclóin en Química Biolóxica e Materiais Moleculares (CIQUS), Universidade de Santiago de Compostela, 15782 Santiago de Compostela, Spain
Interests: catalysis; transition metal chemistry; computational chemistry; mechanistic studies; theoretical chemistry
Special Issues, Collections and Topics in MDPI journals
Interests: catalysis; transition metal chemistry; computational chemistry; mechanistic studies; theoretical chemistry
Special Issues, Collections and Topics in MDPI journals
Department of Chemistry, University of Guelph, Guelph, ON N1G 2W1, Canada
Interests: density functional theory; computational electrocatalysis; carbon dioxide reduction
Interests: density functional theory; computational electrocatalysis; carbon dioxide reduction
Departamento de Ingeniería Química y Ambiental, Universidad Técnica Federíco Santa Maria, Chile; Department of Chemical and Materials Engineering, University of Alberta, Edmonton, AB T6G 2R3, Canada
Interests: multiscale modeling; hydrogen conversion; CO2 utilization; structured catalytic reactors; computational models
Special Issues, Collections and Topics in MDPI journals
Interests: multiscale modeling; hydrogen conversion; CO2 utilization; structured catalytic reactors; computational models
Special Issues, Collections and Topics in MDPI journals
Faculty of Chemistry, University Duisburg-Essen, Essen, Germany
Interests: theoretical electrocatalysis; materials screening; free-energy diagram; oxygen evolution reaction; chlorine evolution reaction; hydrogen evolution reaction
Special Issues, Collections and Topics in MDPI journals
Interests: theoretical electrocatalysis; materials screening; free-energy diagram; oxygen evolution reaction; chlorine evolution reaction; hydrogen evolution reaction
Special Issues, Collections and Topics in MDPI journals
Institute of Chemistry of Nice (ICN), UMR 7272 CNRS-Côte d'Azur University, 28, Avenue de Valrose, CEDEX 2, 06108 Nice, France
Interests: theoretical catalysis; in solution and on solid state; quantum calculations
Interests: theoretical catalysis; in solution and on solid state; quantum calculations
Faculty of Energy and Fuels, AGH University of Science and Technology, Al Adama Mickiewicza 30, PL-30059 Krakow, Poland
Interests: Thermal conversion processes; kinetics; gasification; pyrolysis; biomass utilization; waste management
Special Issues, Collections and Topics in MDPI journals
Interests: Thermal conversion processes; kinetics; gasification; pyrolysis; biomass utilization; waste management
Special Issues, Collections and Topics in MDPI journals
Department of Chemistry, Faculty of Science, King Abdulaziz University, Jeddah 21589, Saudi Arabia
Interests: catalysts by design; solid-state and surface reactivity; heterogeneous catalysis
Interests: catalysts by design; solid-state and surface reactivity; heterogeneous catalysis
Department of Chemical Engineering, National Taiwan University, Taipei 10617, Taiwan
Interests: computational chemistry and reaction engineering
Special Issues, Collections and Topics in MDPI journals
Interests: computational chemistry and reaction engineering
Special Issues, Collections and Topics in MDPI journals
Academy of Advanced Interdisciplinary Research, Xidian University, Xi’an 710071, China
Interests: catalysis and mechanism; computational chemistry; inorganic and organometallic chemistry
Special Issues, Collections and Topics in MDPI journals
Interests: catalysis and mechanism; computational chemistry; inorganic and organometallic chemistry
Special Issues, Collections and Topics in MDPI journals
Department of Mechanical and Aerospace Engineering, School of Engineering and Applied Science, The George Washington University, Washington, DC 20052, USA
Interests: plasma chemistry; plasma diagnostics; plasma physics; machine learning; supramolecular chemistry; interdisciplinary fields of plasma chemistry such as plasma medicine; nanomaterials; air and water purifications
Special Issues, Collections and Topics in MDPI journals
Interests: plasma chemistry; plasma diagnostics; plasma physics; machine learning; supramolecular chemistry; interdisciplinary fields of plasma chemistry such as plasma medicine; nanomaterials; air and water purifications
Special Issues, Collections and Topics in MDPI journals
Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan 030001, China
Interests: multiscale modeling of heterogeneous catalysis in operando conditions; machine learning in heterogeneous catalysis; Fischer–Tropsch synthesis
Special Issues, Collections and Topics in MDPI journals
Interests: multiscale modeling of heterogeneous catalysis in operando conditions; machine learning in heterogeneous catalysis; Fischer–Tropsch synthesis
Special Issues, Collections and Topics in MDPI journals
Department of Chemical and Biological EngineeringUniversity of Wisconsin-Madison1415 Engineering DriveMadison, WI 53706, USA
Interests: DFT; computational catalysis; micro-kinetic modeling; metal catalysts; heterogeneous catalysts
Special Issues, Collections and Topics in MDPI journals
Interests: DFT; computational catalysis; micro-kinetic modeling; metal catalysts; heterogeneous catalysts
Special Issues, Collections and Topics in MDPI journals
1. School of Mathematics and Statistics, Nanjing University of Information Science and Technology, Nanjing 210044, China
2. Jiangsu International Joint Laboratory on System Modeling and Data Analysis, Nanjing University of Information Science and Technology, Nanjing 210044, China
Interests: fluid flow with nanoparticles; computational fluid dynamics (CFD); machanical engineering; mathematical and computational methods in statistics; applied mathematics; fluid processing and heat transfer systems; groundwater modeling; heat and mass transfer; non-newtonian fluids; nonlinear analysis; series solutions of nonlinear problems; boundary value problems; differential system of equations; mathematical modeling; homotopy analysis method and its applications; response surface methodology; solutions of nonlinear differential equations; artificial neural network; sensitivity analysis; statistics; distribution theory; bayesian inference
Special Issues, Collections and Topics in MDPI journals
2. Jiangsu International Joint Laboratory on System Modeling and Data Analysis, Nanjing University of Information Science and Technology, Nanjing 210044, China
Interests: fluid flow with nanoparticles; computational fluid dynamics (CFD); machanical engineering; mathematical and computational methods in statistics; applied mathematics; fluid processing and heat transfer systems; groundwater modeling; heat and mass transfer; non-newtonian fluids; nonlinear analysis; series solutions of nonlinear problems; boundary value problems; differential system of equations; mathematical modeling; homotopy analysis method and its applications; response surface methodology; solutions of nonlinear differential equations; artificial neural network; sensitivity analysis; statistics; distribution theory; bayesian inference
Special Issues, Collections and Topics in MDPI journals
School of Chemistry, Xi’an Jiaotong University, Xi’an 710049, China
Interests: computational chemistry; density functional theory; molecular dynamics simulation; machine learning; algorithm development; heterogeneous catalysis; energy catalytic materials; electrochemistry; single-atom catalysis; Raman spectroscopy; strong metal-support interaction; electron transfer theory
Special Issues, Collections and Topics in MDPI journals
Interests: computational chemistry; density functional theory; molecular dynamics simulation; machine learning; algorithm development; heterogeneous catalysis; energy catalytic materials; electrochemistry; single-atom catalysis; Raman spectroscopy; strong metal-support interaction; electron transfer theory
Special Issues, Collections and Topics in MDPI journals
Institute of Chemical and Electrochemical Process Engineering, Clausthal University of Technology, 38678 Clausthal-Zellerfeld, Germany
Interests: computational Fluid Dynamics; CFD; reaction engineering; transport phenomena; micro-kinetics; 3D printing
Interests: computational Fluid Dynamics; CFD; reaction engineering; transport phenomena; micro-kinetics; 3D printing
Department of Chemical and Biological Engineering, University of Wisconsin-Madison, Madison, WI 53711, USA
Interests: heterogenous catalysis; density functional theory; microkinetic modeling; metal nanoclusters; alloy catalysts; hydrodechlorination
Interests: heterogenous catalysis; density functional theory; microkinetic modeling; metal nanoclusters; alloy catalysts; hydrodechlorination
MEMS Center, Harbin Institute of Technology, Harbin 150001, China
Interests: electrocatalysis; graphene; methanol fuel well; computation; kinetic
Special Issues, Collections and Topics in MDPI journals
Interests: electrocatalysis; graphene; methanol fuel well; computation; kinetic
Special Issues, Collections and Topics in MDPI journals
Faculty of Energy and Fuels, AGH University of Science and Technology, Al Adama Mickiewicza 30, PL-30059 Krakow, Poland
Interests: solid fuels conversion processes; gasification; kinetics; catalysts; environment protection; waste management
Special Issues, Collections and Topics in MDPI journals
Interests: solid fuels conversion processes; gasification; kinetics; catalysts; environment protection; waste management
Special Issues, Collections and Topics in MDPI journals
School of Chemistry and Materials Science, Zhejiang Normal University, Jinhua 321017, China
Interests: heterogeneous catalysis; density functional theory; methane activation; descriptor
Interests: heterogeneous catalysis; density functional theory; methane activation; descriptor
