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Clement (Moeed) Shahamat

Post-Doc

clement.jpg

Positions  

Education

Technische Universität Dortmund Dortmund, Germany                               (2006-2008)

Master of Science in Process Engineering

McGill University Montreal, Quebec, Canada                                               (2009-2014)

Ph.D. in Chemical Engineering (Polymer Processing)

Awards & Honors

Total                9 papers

First author     9 papers

  • McGill International Doctoral Awards ($14000/a), (2009-2014.)

  • Centre for Self-Assembled Chemical Structures Travel Award, McGill ($650; CAM conference, Waterloo, August 2013).

  • Canadian Association of Physicists Travel Award ($100; Canadian American Mexican conference, Waterloo, August 2013).

  • Centre for Self-Assembled Chemical Structures Travel Award, McGill ($1200; APS March 2013 conference, Maryland, US).

  • Graduate Excellence Fellowship in Chemical Engineering ($2500), Faculty of Engineering, McGill University, 2012-2013.

  • Graduate Research Enhancement and Travel Awards (GREAT Awards), McGill University ($450; ICNFA 2012, Montreal).

  • Graduate Travel Grant, McGill University ($3600; ICMS meeting, Edinburgh, UK, 30 April-4 May 2012).

  • Graduate Excellence Fellowship in Chemical Engineering ($1500), Faculty of Engineering, McGill University, 2012.

  • NSERC award granted by McGill ($22,200), 2011-2012.

  • Eugenie Ulmer Lamothe (EUL) graduate award ($10,000), Dept. of Chemical Engineering, McGill University, 2010-2011.

  • Canadian Natural Sciences and Engineering Research Council (NSERC) scholarship recipient, 2010-2011.

  • American Chemical Society (ACS) scholarship recipient, 2010-2011.

  • NSERC-Collaborative Research and Development (CRD) grant, NOVA Chemicals, 2009.

Research Interest

1. Thermodynamics and Phase Behavior of Polyolefins

2. Computational Modeling of Fuel Cells

Publications

  1. M. Shahamat; A. Rey, Equation of State Modeling and Force Field-Based Molecular Dynamics Simulations of Supercritical Polyethylene + Hexane + Ethylene Systems, Journal of Molecular Graphics and Modelling, 2020, 100, 107709.

  2. Liu Z.; Shahamat M.; Moitessier N., Atom Types Independent Molecular Mechanics Method for Predicting the Conformational Energy of Small Molecules, Journal of Chemical Information and Modeling, 2018, 58 (1), 194-205.

  3. Liu Z.; Shahamat M.; Moitessier N., Elucidating Hyperconjugation from Electronegativity to Predict Drug Conformational Energy in a High Throughput Manner, Journal of Chemical Information and Modeling, 2016, 56 (4), 788-801.

  4. M. Shahamat; A. Rey, Molecular Mechanics and Equation of State Modeling of Compressible Polyolefin Solutions: Impact of Pressure and Cut-off Radius of Intermolecular Potentials, Chemical Engineering Science, 2015, 121, 100-109 (Published in 2013 Danckwerts Special Issue on Molecular Modelling in Chemical Engineering).

  5. M. Shahamat; A. Rey, Atomistic Modeling of Pressure-Induced Phase Separation Based on the OPLS-AA Force Field, XIV Latin American Symposium on Polymers, Porto de Galinhas, Brazil, October 12-16th, 2014.

  6. M. Shahamat; A. Rey, Molecular Thermodynamic Characterization of LCST Fluid Phase Behavior and Exploring Electrostatic Algorithms to Compute Polymer/Solvent Solubility Parameters in the Canonical Ensemble, Polymer, 2013, 54 (18), 4997-5004.

  7. M. Shahamat; A. Rey, High Pressure Miscibility Predictions of Polyethylene in Hexane Solutions Based on Molecular Dynamics, European Polymer Journal, 2013, 49 (2), 471-481.

  8. M. Shahamat; A. Rey, A Combined Molecular Modeling-Thermodynamics Algorithm to Predict the Pressure Dependence of Binary Interaction Parameter in Polyolefin Solutions, Proceedings of the 3rd International Conference on Nanotechnology: Fundamentals and Applications, Montreal, Canada, 7-9 August 2012, Paper No. 265.

  9. M. Shahamat; A. Rey, Characterization of Pressure Effects on the Cohesive Properties and Structure of Hexane and Polyethylene Using Molecular Dynamics Simulations, Macromolecular Theory & Simulations, 2012, 21 (8), 535-543.

Patents

Presentations

  1. Molecular Dynamics Simulations of Binary and Ternary Polyethylene Solutions at High Pressure, North American UGM & Conference, Montreal, June 2014 (poster).

  2. Molecular Mechanics Modeling of Compressible Polymer Solutions Based on Isobaric-Isothermal Ensemble, Bulletin of the American Physical Society 59 (1), Denver, Colorado, US, 3-7 March 2014 (oral presentation).

  3. Fully-Atomistic Simulations of Pressure Effects on Structure and Physical Properties of Polyolefin Solutions, 63rd Canadian Chemical Engineering Conference, Fredericton, New Brunswick, 20-23 October 2013 (oral presentation).

  4. Towards Understanding Lower Critical Solution Temperatures & Exploring Shift Function/Particle Mesh Ewald Electrostatic Schemes via Constant Volume-Constant Temperature Ensemble Simulations, CAM, Waterloo, 15-18 August 2013 (poster).

  5. Elucidating Impact of Pressure on Internal Pressure & Characterization of Pressure-Induced Phase Separation Mechanism in Polyolefin-Solvent Mixtures in the NPT Ensemble, North American UGM & Conference, Montreal, June 2013 (poster).

  6. Molecular Modeling Simulations in Phase Stability of Polyethylene Solutions at Elevated Pressures, Bulletin of the American Physical Society 58 (1), Baltimore, Maryland, US, 18-22 March 2013 (oral presentation).

  7. A Combined Molecular Modeling-Thermodynamics Algorithm to Predict the Pressure Dependence of Binary Interaction Parameter in Polyolefin Solutions, ICNFA'12, Montreal, Canada, 7-9 August 2012 (oral presentation).

  8. Computational Thermodynamics of Compressible Polymer Solutions Using a Combined EOS-Molecular Dynamics Approach, Annual McGill-NOVA Chemicals Research Symposium, McGill University, Montreal, Canada, May 2010.

  9. Molecular Modeling in Thermodynamics of Polymer Solutions, Annual McGill-NOVA Chemicals Research Symposium, McGill University, Montreal, Canada, July 2009.

  10. Tubular Reactor Modeling, Design & Simulation for Continuous Production of Poly (styrene-butadiene) Using Emulsion Polymerization System, Technische Universität Dortmund, Dortmund, Germany, January 2008.

  11. Introduction to Emulsion Polymerization Systems, Process Description (nucleation and growth phases), Advantages/Disadvantages, Technische Universität Dortmund, Dortmund, Germany, June 2007.

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