Department of Nutrition and Food Engineering
Dr. Md. Al Mamunur Rashid  Assistant Professor
Name :
Dr. Md. Al Mamunur Rashid
Designation
Assistant Professor  
Department
Department of Nutrition and Food Engineering
Faculty
Faculty of Health and Life Sciences
Personal Webpage
https://faculty.daffodilvarsity.edu.bd/profile/nfe/mamunur.html
E-mail
mamunur.nfe@diu.edu.bd
Phone
Cell-Phone
01973420718
Bachelor University of Dhaka Applied Chemistry & Chemical Technology First 2006
Masters University of Dhaka Applied Chemistry & Chemical Engineering First 2007
Ph. D. Kyungpook National University (South Korea) Natural Science Awarded 2014~2018
Selective Training Summary Organized by
Peer Review Foundations: Supporting Effective Teaching Workshop Purdue University, Indiana, USA
Tertiary Level Trainer for Teachers Human Resource Development Institute, DIU
Computational Chemistry Training Kyungpook National University, South Korea.
Science to accelerate Universal Health Coverage icddr, b.
Gender Awareness Workshop; icddr, b.
Training on Laboratory Safety Training Program Module, Safe Laboratory Design, General Laboratory Safety, Chemical Safety, Waste Management & Biosafety; icddr, b.
Training on Uncertainty Estimation in Testing & Calibration and In-House Calibration BGMEA
Training on Fire Prevention, Fire Extinction, Rescue, First Aid & Safe Evacuation  BGMEA
Training course on Industrial Process Unit Operation & Process Control Technique (1 month) Training Institute for Chemical Industries (TICI), Bangladesh. 
Four weeks In-Plant Training  Global Heavy Chemicals Limited, Keranigonj, Dhaka
Bangladesh Chemical Society Chemistry for Clean Water, Bangladesh  University of Dhaka 
  1. Physical, Inorganic and Analytical Chemistry
  2. Physical, Inorganic and Analytical Chemistry Practical
  3. Organic Chemistry
  4. Organic Chemistry Practical
  5. Unit Operations in Food Industries I
  6. Food Chemistry
  7. Unit Operations in Food Industries II
  8. Unit Operations in Food Industries Practical
  9. Engineering Properties of Food Materials
  10. Water and Beverage Technology
  11. Water and Beverage Technology Practical
  12. Environmental Food Technology
  13. Food Safety and Quality Assurance
  14. Advanced Methods of Food Analysis
  15. Advanced Methods of Food Analysis Practical
  16. Food Toxicology and Adulteration
  17. Industrial Chemistry

Publications: 

Published as  Title of the Article / Journal Name / DOI Country Journal Ranking
Co-author Impacts of the Positional Isomerism of Hydrogen Bond Donor on Nanostructure and Thermophysical Properties of Aromatic Deep Eutectic Solvents (Submitted) - -
Equal authorship Decarboxylation of Hydroxybenzoic Acids to Phenol via Deep Eutectic Solvents ChemSusChem; (2024), e202401257); 10.1002/cssc.202401257 Germany Q1
1st author  Machine Learning Approach for Predicting the Hole Mobility of the Perovskite Solar Cells; Advanced Theory and Simulations; 7 (2024) 2300978;10.1002/adts.202300978 Germany Q1
Equal authorship Integrating experimental and computational approaches for deep eutectic solvent-catalyzed glycolysis of post-consumer polyethylene terephthalate; Waste Management; 174 (2024) 411-419; 10.1016/j.wasman.2023.12.028 Netherlands Q1
Co-author Enhancing polyethylene terephthalate conversion through efficient microwave-assisted deep eutectic solvent-catalyzed glycolysis Chemosphere; 349 (2024) 140781; 10.1016/j.chemosphere.2023.140781 Netherlands Q1
1st author Effect of substituting donors on the hole mobility of hole transporting materials in perovskite solar cells: a DFT study; Physical Chemistry Chemical Physics; 26 (2024) 1352-136310.1039/d3cp04310j United Kingdom Q1
1st author Li+-Li+ and Na+-Li+ ion pairs in aqueous solution; Fluid Phase Equilibria; 576 (2024) 11395710.1016/j.fluid.2023.113957 Netherlands Q2
1st author The solvation dynamics of CO2 by quantum mechanical molecular dynamics; Chemical Physics Letters; 832 (2023) 14086110.1016/J.CPLETT.2023.140861 Netherlands Q2
1st author Excited-state intramolecular proton transfer in 10-hydroxybenzoquinoline, 1-hydroxyanthraquinone, methyl salicylate and 4-methyl-2, 6-diformyl phenol: a QM/MM MD study Theoretical Chemistry Accounts; 142 (2023) 9610.1007/s00214-023-03045-1 Germany Q3
1st author Identifying the acidic or basic behavior of surface water: a QM/MM-MD study; Physical Chemistry Chemical Physics; 25 (2023) 31194-3120510.1039/d3cp02080k United Kingdom Q1
Equal authorship A metal organic framework modulated to site-isolate Cl pendants via radical inter-conversion for degrading hard-to-ionize aqueous organic wastes; Journal of Materials Chemistry A; 11 (2023) 9436-945410.1039/D2TA09999C United Kingdom Q1
1st author Theoretical prediction on the hydrolysis rate of the new types of nerve agents: A density functional study; Toxicology Reports; 10 (2023) 27-3110.1016/j.toxrep.2022.12.001 Netherlands Q2
1st author UV-Vis Spectrophotometer as an Alternative Technique for the Determination of Hydroquinone in Vinyl Acetate Monomer; Photochem; 2 (2022) 435-44710.3390/photochem2020030 Switzerland Q2
1st author Effects of pi conjugation on the charge transport properties of hole transporting materials featuring diphenylamine quinacridone for perovskite solar cells: A theoretical study; Bulletin of the Korean Chemical Society; 43 (2022) 658-66710.1002/bkcs.12504 Germany Q2
1st author Quantum mechanical/molecular mechanical approach for the simulation of UV Vis absorption spectra of pi conjugated oligomers; Journal of Molecular Liquids; 341 (2021) 11740610.1016/J.MOLLIQ.2021.117406 Netherlands Q1
Co-author 2D Star-Shaped Non-Fullerene Electron Acceptors with Modulation of J/H Type Aggregations: Molecular Design Morphology Electrical Property Correlation; Advanced Materials Technologies; 5 (2020) 200017410.1002/admt.202000174 Germany Q1
1st author Theoretical investigation of azobenzene-based photochromic dyes for dye-sensitized solar cells; Nanomaterials; 10 (2020) 91410.3390/nano10050914 Switzerland Q1
Equal authorship New Insights into the Photodegradation Mechanism of the PTB7-Th Film: Photooxidation of pi-Conjugated Backbone upon Sunlight Illumination; Journal of Physical Chemistry C; 124 (2020) 2762-277010.1021/ACS.JPCC.9B09954 USA Q1
1st author Computational investigation of tuning the electron-donating ability in metal-free organic dyes featuring an azobenzene spacer for dye-sensitized solar cells; Nanomaterials; 9 (2019) 11910.3390/nano9010119 Netherlands Q1
1st author Heat of formation prediction by G4MP2-SFM schemes: An application to various nitroazole derivatives; Computational and Theoretical Chemistry; 113 (2018) 148-159; 10.1016/j.comptc.2018.03.022 Netherlands Q2
1st author Heat of formation predictions of various nitro-substituted azoles by G4MP2-SFM scheme; Theoretical Chemistry Accounts; 134 (2015) 1-1110.1007/s00214-015-1733-4 Germany Q3



Book Chapter:

Title of the Book Depolymerization: Concept, Progress, and Challenges; ACS Symposium SeriesTitle of the Book Chapter:"Microwave-Assisted Depolymerization of Natural and Synthetic polymers"Md Al Mamunur Rashid, Kwang Ho Kim, Keunhong Jeong;Chapter 2, Vol 3; pp 15-31;https://pubs.acs.org/doi/pdf/10.1021/bk-2025-1501.ch002 Publisher Year
American Chemical Society April 01, 2025

 

Selected Conference Proceedings

 

1. 9th International Conference on Coherent Multidimensional Spectroscopy, CMSD 2018, Seoul, South Korea, June 25-29, 2018, Poster presentation.
2. 120th Annual Meeting of the Korean Chemical Society (KCS), Gwangju, South Korea, October 20-22, 2017, Poster presentation.
3. 4th KISHEM & 2017-IASPEP, Seoul, South Korea, August 29-September 02, 2017, Poster presentation.
4. 118th Annual Meeting of the Korean Chemical Society (KCS), Busan, South Korea, October 12-14, 2016, Poster presentation.
5. 117th Annual Meeting of the Korean Chemical Society (KCS), Gyeonggi-do, South Korea, April 20-22, 2016, Poster presentation.
6. 45th IUPAC World Chemistry Congress, Busan, South Korea, August 9-14, 2015, Poster presentation.
7. 15th International Congress of Quantum Chemistry (ICQC), Beijing, China, June 8-13, 2015, Poster presentation.
8. 114th Annual Meeting of the Korean Chemical Society (KCS), Gwangju, South Korea, October 16-18, 2014, Poster presentation.
9. 116th Summer Symposium of the Korean Chemical Society (KCS), Gyeongju, South Korea, June 26-28, 2014, Poster presentation.
10. “Science to accelerate Universal Health Coverage, ICDDR, B, Bangladesh, March 14-17, 2011, participant.
11. Annual Conference of Bangladesh Chemical Society “Chemistry for Clean Water”, Bangladesh, January 30 – February 01, 2009, participant.

 

Area of Expertise:

  • Proficiency in quantum chemistry Software: GAMESS, GAUSSIAN, AMBER, ONIOM, Discovery Studio, ADF.
  • Skilled in using several quantum calculation methods: QM/MM MD, ab initio, DFT, TDDFT, SFDFT, DFT-B, Post HF theory (MP2, MP3), SCRF, Semi-Empirical methods, Polarizable Continuum Model, Periodic Boundary Condition, etc.
  • Data analysis using various chemistry software: NBO, Chem3D, VMD, Origin, MacMolPlt, ChemDraw, Multiwfn, Gaussview, Avogadro, GaussSum, ORCA, AIMALL, UCA-FUKUI, AOMix, etc.
  • G4MP2-SFM parameterization scheme using the GAMESS/GAUSSIAN package.
  • QM/MM Molecular Dynamics (MD) simulations.
  • Applied in-house Non-Adiabatic Molecular Dynamics (NAMD) simulation.
  • Analyzing IR, RAMAN and UV-Visible absorption spectra using DFT to investigate the photodegradation or any other mechanisms.
  • Quantum chemical calculation of various electro-chemical and optical properties such as: FMO, ESP, EDD, NBO, NTO, DOS, PDOS, UV, SOPT, NLO, HOMO-LUMO, IP, EA, LHE, EBE, JSC, VOC, TS, dipole moment, binding energy, adsorption energy, Gibbs free energy, charge distribution, reaction enthalpy, electronegativity, hardness, hole-electron reorganization energy, electron injection rate, electron regeneration energy, etc.
  • Classical molecular dynamics.
  • Solid State calculations using Amsterdam Density Functional Theory.
  • DFT study of Heavy Metals analysis.
SL. Name of the Award/ Recognition/Honor Awarded by Year
1 KNU full funded International Graduate Scholarship Kyungpook National University, Daegu, South Korea 2014-2016
2 Government Scholarship Government of People's Republic of Bangladesh 2006
3 Government Scholarship Government of People's Republic of Bangladesh 2002
  • Korea Chemical Society:  Mar 2014- Feb 2018
EmployerName PositionHeld Duration of Service
From To
Australian Federation College, Tasmania, Australia Assessment and AcademicQuality Reviewer 01 Feb 2025 10 Sep 2025
Daffodil International University Part Time Faculty 15 Jan 2025 31 Aug 2025
Korea Institute of Science and Technology (KIST), South Korea Postdoctoral Researcher 01 Oct 2021 30 Sep 2024
Chung-Ang University, South Korea Research Professor 01 Jan 2021 30 Sep 2021
Chung-Ang University, South Korea Research Associate 01 Aug 2019 31 Dec 2020
Korea University, South Korea Research Professor 01 Jun 2018 31 Jul 2019
Kunsan National University, South Korea Postdoctoral Researcher 01 Mar 2018 31 May 2018
BGMEA Laboratory, Bangladesh Executive-Report Review 01 Oct 2012 31 Dec 2013
Nestle Bangladesh Limited, Bangladesh Nutrition Officer 01 Aug 2011 31 Sep 2012
icddr,b Bangladesh Research Officer 01 Apr 2011 31 Jul 2011
Icddr,b Bangladesh Senior Research Assistant 10 May 2010 31 Mar 2011