CleanAirBouw project
An Interreg France-Wallonie-Vlaanderen project on indoor air quality (IAQ).
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Contacts by pole
HPC-MM representatives
Permanent members
Prof. Yoann OLIVIER
+32 (0) 81 72 45 34
yoann.olivier@unamur.be
NOP representatives
Permanent members
Prof. Olivier DEPARIS
+32 (0)81 72 52 35
olivier.deparis@unamur.be
Non-permanent members
Dr. Sébastien MOUCHET
adrien.debacq@unamur.be
SICN representatives
Permanent members
Julien COLAUX
+32 (0)81 72 54 70
julien.colaux@unamur.be
Non-permanent members
Emile HAYE
lucas.schoenauen@unamur.be
FSM representatives
Permanent members
Nikolay TUMANOV
nikolay.tumanov@unamur.be
Non-permanent members
Tarek BARAKAT
anthony.morena@unamur.be
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Recognised researcher profile (R2)
The recognised researcher profile (R2) includes PhDs with a thesis or equivalent, who are not yet self-employed according to the EURAXESS classification. You can find all the information you need about this status here.
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Your career (R2)
Are you a doctor with a thesis or equivalent? Here you'll find all the information you need to build your career.
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Physical Chemistry of Biomolecules Laboratory (CPB)
The CPB, through the multidisciplinary research it develops, is part of three institutes: NISM for the biomaterials side, NARILIS, for the medicinal chemistry-biotechnology side and ILEE for environmental aspects.
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The Theoretical and Structural Physical Chemistry Unit (UCPTS)
Research focuses on healthcare and energy by characterizing the structural and electronic properties of (macro)molecules. Researchers apply and develop a wide range of theoretical methods: quantum mechanics, molecular mechanics, hybrid QM/MM methods, and statistical mechanics. In a complementary way, UCPTS is developing expertise in structure determination and characterization of (macro)molecules through experimental physico-chemical methods (crystallography, calorimetric analyses, bio-spectroscopies).
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Nanomaterials Chemistry Unit (UCNANO)
Research at UCNANO focuses on energy storage, pollution control and health, developing sustainable and innovative solutions to society's current challenges. Research focuses on energy, the environment, the conversion of waste into high value-added products, green chemistry and health. UCNANO develops high-performance materials with low environmental impact that promote the circular economy and biomedical applications, in heterogeneous catalysis, photocatalysis, nano- and bio-technologies, energy storage and conversion and cell therapy.
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Drawsuite
DrawSuite's various applications are designed to provide tools for analyzing molecular structures and properties. These applications are integrated with various quantum chemistry software packages, including GAMESS US and Gaussian. The results of these programs are then used to generate user-friendly scientific representations.
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DrawMol
DrawMol is a powerful graphical interface for visualizing and building molecular structures.
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DrawSpectrum
DrawSpectrum is a powerful graphical interface for generating and plotting spectra.
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DrawVib
DrawVib is a powerful graphical interface for visualizing and analyzing vibrational spectra as well as atomic displacements of vibrational normal modes calculated by a quantum chemistry program.
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DrawProfile
DrawProfile is a powerful graphical interface for visualizing and analyzing the energy profile along an optimization, along a reaction coordinate, or along a distance, angle or dihedral angle PES scan.
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