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Mohammad Alaghemandi
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The thermal conductivity and thermal rectification of carbon nanotubes studied using reverse non-equilibrium molecular dynamics simulations
M Alaghemandi, E Algaer, MC Böhm, F Müller-Plathe
Nanotechnology 20 (11), 115704, 2009
1922009
Thermal rectification in nanosized model systems: A molecular dynamics approach
M Alaghemandi, F Leroy, F Müller-Plathe, MC Böhm
Physical Review B 81 (12), 125410, 2010
882010
Molecular Dynamics Investigation of the Thermo‐Responsive Polymer Poly(N‐isopropylacrylamide)
M Alaghemandi, E Spohr
Macromolecular theory and simulations 21 (2), 106-112, 2012
622012
Thermal rectification in mass-graded nanotubes: a model approach in the framework of reverse non-equilibrium molecular dynamics simulations
M Alaghemandi, F Leroy, E Algaer, MC Böhm, F Müller-Plathe
Nanotechnology 21 (7), 075704, 2010
542010
Thermal conductivity of carbon nanotube—polyamide-6, 6 nanocomposites: Reverse non-equilibrium molecular dynamics simulations
M Alaghemandi, F Müller-Plathe, MC Böhm
The Journal of chemical physics 135 (18), 2011
462011
Anisotropy of the thermal conductivity of stretched amorphous polystyrene in supercritical carbon dioxide studied by reverse nonequilibrium molecular dynamics simulations
EA Algaer, M Alaghemandi, MC Böhm, F Müller-Plathe
The Journal of Physical Chemistry B 113 (44), 14596-14603, 2009
442009
Tribenzotriquinacene Receptors for C60 Fullerene Rotors: Towards C3 Symmetrical Chiral Stators for Unidirectionally Operating Nanoratchets
B Bredenkötter, M Grzywa, M Alaghemandi, R Schmid, W Herrebout, ...
Chemistry–A European Journal 20 (29), 9100-9110, 2014
402014
Thermal conductivity of polyamide-6, 6 in the vicinity of charged and uncharged graphene layers: a molecular dynamics analysis
M Alaghemandi, MR Gharib-Zahedi, E Spohr, MC Böhm
The Journal of Physical Chemistry C 116 (26), 14115-14122, 2012
382012
Benchmarking the performance of the ReaxFF reactive force field on hydrogen combustion systems
LW Bertels, LB Newcomb, M Alaghemandi, JR Green, M Head-Gordon
The Journal of Physical Chemistry A 124 (27), 5631-5645, 2020
362020
Thermal conductivity of amorphous polystyrene in supercritical carbon dioxide studied by reverse nonequilibrium molecular dynamics simulations
EA Algaer, M Alaghemandi, MC Böhm, F Müller-Plathe
The Journal of Physical Chemistry A 113 (43), 11487-11494, 2009
292009
Almost Enclosed Buckyball Joints: Synthesis, Complex Formation, and Computational Simulations of Pentypticene‐Extended Tribenzotriquinacene
S Henne, B Bredenkötter, M Alaghemandi, S Bureekaew, R Schmid, ...
ChemPhysChem 15 (17), 3855-3863, 2014
262014
Synthetic Strategies for the Regioselective Functionalization of Tribenzotriquinacenes
A Dhara, F Beuerle
Synthesis 50 (15), 2867-2877, 2018
182018
Model Study of Thermoresponsive Behavior of Metal–Organic Frameworks Modulated by Linker Functionalization
M Alaghemandi, R Schmid
The Journal of Physical Chemistry C 120 (12), 6835-6841, 2016
182016
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 Alaghemandi
Physical Chemistry Chemical Physics 17 (22), 14502-14512, 2015
172015
Learning the mechanisms of chemical disequilibria
SB Nicholson, M Alaghemandi, JR Green
The Journal of Chemical Physics 145 (8), 2016
162016
A molecular dynamics study of poly (N-isopropylacrylamide) endgrafted on a model cylindrical pore surface
M Alaghemandi, E Spohr
RSC advances 3 (11), 3638-3647, 2013
162013
Reactive symbol sequences for a model of hydrogen combustion
M Alaghemandi, JR Green
Physical Chemistry Chemical Physics 18 (4), 2810-2817, 2016
142016
Single layer hydrogenated graphyne membrane for selective hydrogen separation: A molecular dynamics simulation study
M Alaghemandi
Chemical Physics Letters 629, 65-69, 2015
142015
Transversal thermal transport in single-walled carbon nanotube bundles: Influence of axial stretching and intertube bonding
MR Gharib-Zahedi, M Tafazzoli, MC Böhm, M Alaghemandi
The Journal of Chemical Physics 139 (18), 2013
142013
Correlation between thermal conductivity and bond length alternation in carbon nanotubes: A combined reverse nonequilibrium molecular dynamics—Crystal orbital analysis
M Alaghemandi, J Schulte, F Leroy, F Müller‐plathe, MC Böhm
Journal of computational chemistry 32 (1), 121-133, 2011
142011
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