Mohammad Alaghemandi
Lecturer
- Title Lecturer
- Email alaghe@bu.edu
- Education Ph.D. University of Darmstadt, Germany
Mohammad holds a Ph.D. in Computational Physical Chemistry from University of Darmstadt, Germany. His research interests focus on understanding physical properties of complex chemical systems and exploring hidden patterns utilizing computational methods. He has made notable contributions in developing simulation models and analyzing tools working with multidisciplinary research groups in Europe and here in the States. List of his publications can be found under https://scholar.google.com/citations?user=SLwsGc0AAAAJ&hl=en
Mohammad teaches a wide variety of courses including data analysis and visualization, statistical thermodynamics, and quantum mechanics.
His personal homepage is available under http://www.alaghemandi.science/
Courses
Research Interests
- Predictive Modeling of Complex Chemical Systems
- Atomistic Simulation and Multiscale Modeling
- Designing advanced materials with desired properties using computational tools and AI Technique
Scholarly Works
|
Benchmarking the performance of the ReaxFF reactive force field on hydrogen combustion systemsLW Bertels, LB Newcomb, M Alaghemandi, JR Green, M Head-GordonThe Journal of Physical Chemistry A 124 (27), 5631-5645 |
2020 |
| Dynamic modes of ignition phenomena: Learning chemistry from dataC Brown, R Mohr, M Alaghemandi, J Green, I MezicABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258 | 2019 |
| Femtosecond Laser Ablation of Monolayer Graphene with Analysis of the Structural DeformationsA Vasquez, M Alaghemandi, J Zeng, P Samolis, A Sapp, S Sharifzadeh, …2019 Conference on Lasers and Electro-Optics (CLEO), 1-2 | 2019 |
| Structural Deformations in Graphene under Laser AblationM Alaghemandi, M Sander, S SharifzadehAPS March Meeting Abstracts 2019, X19. 009 | 2019 |
| Molecular dynamics and many-body perturbation theory analysis of defects in monolayer germanium monochalcogenidesA Cohen, K Lewis, M AlaghemandiABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256 | 2018 |
| Effects of temperature and mass conservation on the typical chemical sequences of hydrogen oxidationSB Nicholson, M Alaghemandi, JR GreenThe Journal of chemical physics 148 (4), 044102 | 2018 |
| Nonequilibrium phase coexistence and criticality near the second explosion limit of hydrogen combustionLB Newcomb, M Alaghemandi, JR GreenThe Journal of chemical physics 147 (3), 034108 | 2017 |
| Ignition in an atomistic model of hydrogen oxidationM Alaghemandi, LB Newcomb, JR GreenThe Journal of Physical Chemistry A 121 (8), 1686-1692 | 2017 |
| Nonexponential kinetics of ion pair dissociation in electrofreezing waterM Alaghemandi, V Koller, JR GreenPhysical Chemistry Chemical Physics 19 (38), 26396-26402 | 2017 |
| Learning the mechanisms of chemical disequilibriaSB Nicholson, M Alaghemandi, JR GreenThe Journal of chemical physics 145 (8), 084112 | 2016 |
| Model Study of Thermoresponsive Behavior of Metal–Organic Frameworks Modulated by Linker FunctionalizationM Alaghemandi, R SchmidThe Journal of Physical Chemistry C 120 (12), 6835-6841 | 2016 |
| Reactive symbol sequences for a model of hydrogen combustionM Alaghemandi, JR GreenPhysical Chemistry Chemical Physics 18 (4), 2810-2817 | 2016 |
| Single layer hydrogenated graphyne membrane for selective hydrogen separation: A molecular dynamics simulation studyM AlaghemandiChemical Physics Letters 629, 65-69 | 2015 |
| Interfacial thermal transport and structural preferences in carbon nanotube–polyamide-6, 6 nanocomposites: how important are chemical functionalization effects?MR Gharib-Zahedi, M Tafazzoli, MC Böhm, M AlaghemandiPhysical Chemistry Chemical Physics 17 (22), 14502-14512 | 2015 |
| Inside Back Cover: Almost Enclosed Buckyball Joints: Synthesis, Complex Formation, and Computational Simulations of Pentypticene‐Extended Tribenzotriquinacene (ChemPhysChem 17 …S Henne, B Bredenkötter, M Alaghemandi, S Bureekaew, R Schmid, …ChemPhysChem 15 (17), 3879-3879 | 2014 |
| Almost Enclosed Buckyball Joints: Synthesis, Complex Formation, and Computational Simulations of Pentypticene‐Extended TribenzotriquinaceneS Henne, B Bredenkötter, M Alaghemandi, S Bureekaew, R Schmid, …ChemPhysChem 15 (17), 3855-3863 | 2014 |
| Tribenzotriquinacene Receptors for C60 Fullerene Rotors: Towards C3 Symmetrical Chiral Stators for Unidirectionally Operating NanoratchetsB Bredenkötter, M Grzywa, M Alaghemandi, R Schmid, W Herrebout, …Chemistry–A European Journal 20 (29), 9100-9110 | 2014 |
| Molecular dynamics studies of poly (N-isopropylacrylamide) endgrafted on the surfaces of model slab poresL Lorbeer, M Alaghemandi, E SpohrJournal of Molecular Liquids 189, 57-62 | 2014 |
| Transversal thermal transport in single-walled carbon nanotube bundles: Influence of axial stretching and intertube bondingMR Gharib-Zahedi, M Tafazzoli, MC Böhm, M AlaghemandiThe Journal of chemical physics 139 (18), 184704 | 2013 |
| A new class of nanoengines based on thermoresponsive polymers: Conceptual design and behavior studyM Alaghemandi, E SpohrChemical Physics Letters 581, 80-84 | 2013 |
| A molecular dynamics study of poly (N-isopropylacrylamide) endgrafted on a model cylindrical pore surfaceM Alaghemandi, E SpohrRSC advances 3 (11), 3638-3647 | 2013 |
| Thermal conductivity of polyamide-6, 6 in the vicinity of charged and uncharged graphene layers: a molecular dynamics analysisM Alaghemandi, MR Gharib-Zahedi, E Spohr, MC BöhmThe Journal of Physical Chemistry C 116 (26), 14115-14122 | 2012 |
| Macromol. Theory Simul. 2/2012M Alaghemandi, E SpohrMacromolecular Theory and Simulations 21 (2) | 2012 |
| Molecular Dynamics Investigation of the Thermo‐Responsive Polymer Poly(N‐isopropylacrylamide)M Alaghemandi, E SpohrMacromolecular theory and simulations 21 (2), 106-112 | 2012 |
| Thermal conductivity of carbon nanotube—polyamide-6, 6 nanocomposites: Reverse non-equilibrium molecular dynamics simulationsM Alaghemandi, F Müller-Plathe, MC BöhmThe Journal of chemical physics 135 (18), 11B606 | 2011 |
| Correlation between thermal conductivity and bond length alternation in carbon nanotubes: A combined reverse nonequilibrium molecular dynamics—Crystal orbital analysisM Alaghemandi, J Schulte, F Leroy, F Müller‐plathe, MC BöhmJournal of computational chemistry 32 (1), 121-133 | 2011 |
| Thermal Conductivity and Thermal Rectification in Carbon Nanotubes-Reverse Non-Equilibrium Molecular Dynamics SimulationsM AlaghemandiTechnische Universität | 2010 |
| Thermal rectification in nanosized model systems: A molecular dynamics approachM Alaghemandi, F Leroy, F Müller-Plathe, MC BöhmPhysical Review B 81 (12), 125410 | 2010 |
| Thermal rectification in mass-graded nanotubes: a model approach in the framework of reverse non-equilibrium molecular dynamics simulationsM Alaghemandi, F Leroy, E Algaer, MC Böhm, F Müller-PlatheNanotechnology 21 (7), 075704 | 2010 |
| Anisotropy of the thermal conductivity of stretched amorphous polystyrene in supercritical carbon dioxide studied by reverse nonequilibrium molecular dynamics simulationsEA Algaer, M Alaghemandi, MC Böhm, F Müller-PlatheThe Journal of Physical Chemistry B 113 (44), 14596-14603 | 2009 |
| Thermal conductivity of amorphous polystyrene in supercritical carbon dioxide studied by reverse nonequilibrium molecular dynamics simulationsEA Algaer, M Alaghemandi, MC Böhm, F Müller-PlatheThe Journal of Physical Chemistry A 113 (43), 11487-11494 | 2009 |
| The thermal conductivity and thermal rectification of carbon nanotubes studied using reverse non-equilibrium molecular dynamics simulationsM Alaghemandi, E Algaer, MC Böhm, F Müller-PlatheNanotechnology 20 (11), 115704 | 2009 |