Veclani Daniele
Researcher
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BiographyDaniele Veclani, born in Venice in 1985, is a researcher in theoretical and computational chemistry at CNR-ISOF in Bologna. He obtained his MSc in Chemistry (summa cum laude) from Ca’ Foscari University of Venice and his PhD in Energy and Environmental Engineering from the University of Udine. Following academic and industrial experiences, his research focuses on the design and modeling of molecules and functional materials for applications in energy, environment and life sciences.
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ResearchMultiscale modeling of molecules, materials and interfaces for applications in energy, environment and life sciences. Computational analysis of structural and electronic properties to support the development of advanced functional systems.
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KeywordsComputational chemistry • Multiscale modeling • Functional molecular materials • Molecule–material interfaces • Photoinduced processes
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ERC SectorsPE4_1 Physical chemistry
PE4_13 Theoretical and computational chemistry
PE6_12 Scientific computing, simulation and modelling tools
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Additional NotesComputational methods: DFT, TD-DFT, xTB, DFTB; classical and ab initio molecular dynamics. Software: ORCA, Gaussian, xTB/CREST, GROMACS, CRYSTAL, Quantum ESPRESSO, CP2K. Automation of computational workflows and HPC/cluster management. Scientific programming: Python, C++, FORTRAN. Research data management and integration of theory with experimental results.