MD AL MAMUNUR RASHID

1. Conducting classes under the Department of Nutrition and Food Engineering (NFE).
2. Teaching various courses such as Oraganic Chemistry, INstrumental Methods, etc. in NFE.
3. Conducting various lab courses in the deparment of NFE.

Full time research related to DFT analysis of several projects regarding to:

1. BTX (Benzene, Toluene, Xylene) production; polymer degradation; Deep Eutectic Solvents using various computational methods.
2. Quantum Chemical Calculation/ Catalytic Surface modification / Condensed phase calculation of modified Cl-UiO-66, POX-MnVOx as a catalyst.
3. Machine learning approach of Nerve agents.
4. De-polymerization of various natural and synthetic polymers.
5. Decarboxylation of Hydroxybenzoic acids to Phenol via DES.

1. Full time research related to DFT analysis of several Organic Cells (Perovskite Solar Cells; Dye-Sensitized Solar Cells; Optical Photovoltaic Cell) using various computational methods.
2. Investigating various electrochemical and optical properties of azobenzene based DSSC.
3. DFT calculation of two-dimensional star-shaped non-fullerene electron acceptors for OPV cells.
4. DFT calculation of Uranium (VI) substituted benzoate complexation.
5. Molecular Design of Hole transporting Materials for the stable Perovskite Solar Cells.
6. Mentoring Graduate and Ph.D. students.

Research :

1. Full time research related to DFT analysis of several Organic Cells (Perovskite Solar Cells; Dye-Sensitized Solar Cells; Optical Photovoltaic Cell) using various computational methods.
2. Investigating various electrochemical and optical properties of azobenzene based DSSC.
3. DFT calculation of two-dimensional star-shaped non-fullerene electron acceptors for OPV cells.
4. DFT calculation of Uranium (VI) substituted benzoate complexation.
5. Molecular Design of Hole transporting Materials for the stable Perovskite Solar Cells.

Academia:

1. Teaching Chemistry to Graduate Students.
2. Mentoring Graduate and Ph.D. students.

Research :

1. Computational investigation of the electron-donating ability in metal-free organic dyes for dye-sensitized solar cells.
2. Photodegradation mechanism of PTB7-Th film in OPV cells: Photooxidation of π-conjugated backbone upon sunlight illumination using IR, RAMAN and UV-Vis absorption spectroscopy.
3. QM/MM Approach to Precise Simulation of UV-Vis Absorption Spectra of π-Conjugated Oligomers such as DPP(TBFu)2 in OPV cells.
4. Using various computational chemistry software packages: GAMESS, GAUSSIAN, ADF, Discovery Studio, ORCA, Multiwfn, WebMO.
5. Molecular Modelling using NBO, Chem3D, VMD, Origin, MacMolPlt, ChemDraw, Gaussview, Avogadro, GaussSum, AIMALL, Crystal Maker, X, etc.
6. Maintain High-Performance computing (HPC) environments.
7. Collaborating with other experimental research groups.

Academia:

1. Taking classes for the course of Organic Chemistry; Physical Chemistry.
2. Guiding Ph.D., MS students for their research.

Full time research on DFT calculation.