Editorial Board
- Computational Biology Section
- Computational Chemistry Section
- Computational Engineering Section
- Computational Social Science Section
Please note that the order in which the Editors appear on this page is alphabetical, and follows the structure of the editorial board presented on the MDPI website under information for editors: editorial board responsibilities.
Members
Interests: quantum and computational chemistry; inorganic and coordination chemistry; organometallic chemistry; organic chemistry; catalysis; non-covalent interactions; machine learning and artificial intelligence in chemistry
Special Issues, Collections and Topics in MDPI journals
Interests: materials theory; multiscale modeling; low dimensional materials; electronic structure theory
Special Issues, Collections and Topics in MDPI journals
Interests: data science; social computing; data-driven user analysis; application of artificial intelligence
Interests: Molecular Electron Density Theory (MEDT); physical-organic chemistry; chemical concepts and reactivity; molecular mechanisms; reaction selectivities; pseudocyclic reactions; chemical bond and chemical structure; conceptual DFT; Quantum Topology of electron distribution functions such as electron density and electron localization function (ELF)
Special Issues, Collections and Topics in MDPI journals
Interests: statistical machine learning; explainable data analytics; risk modeling; rate making; multivariate statistical methods; time series analysis; predictive analytics; health informatics; biosignal analysis
Special Issues, Collections and Topics in MDPI journals
Interests: Bayesian methods; structural equation modeling; longitudinal data analysis; mediation analysis; dynamical systems and time series analysis; network analysis; text analysis; statistical computing and programming
Special Issues, Collections and Topics in MDPI journals
Interests: density functional theory; atomistic modelling; electronic properties of semiconductors, surfaces, nanostructures