| 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 | 189 | 2009 |
| Thermal rectification in nanosized model systems: A molecular dynamics approach M Alaghemandi, F Leroy, F Müller-Plathe, MC Böhm Physical Review B—Condensed Matter and Materials Physics 81 (12), 125410, 2010 | 89 | 2010 |
| Molecular Dynamics Investigation of the Thermo‐Responsive Polymer Poly(N‐isopropylacrylamide) M Alaghemandi, E Spohr Macromolecular theory and simulations 21 (2), 106-112, 2012 | 65 | 2012 |
| 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 | 54 | 2010 |
| 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 | 47 | 2009 |
| 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 | 46 | 2011 |
| 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 | 44 | 2020 |
| 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 | 42 | 2014 |
| 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 | 37 | 2012 |
| 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 | 29 | 2009 |
| 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 | 26 | 2014 |
| The complexin C-terminal amphipathic helix stabilizes the fusion pore open state by sculpting membranes KC Courtney, L Wu, T Mandal, M Swift, Z Zhang, M Alaghemandi, Z Wu, ... Nature structural & molecular biology 29 (2), 97-107, 2022 | 20 | 2022 |
| Synthetic Strategies for the Regioselective Functionalization of Tribenzotriquinacenes A Dhara, F Beuerle Synthesis 50 (15), 2867-2877, 2018 | 19 | 2018 |
| 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 | 18 | 2016 |
| 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 | 18 | 2015 |
| Learning the mechanisms of chemical disequilibria SB Nicholson, M Alaghemandi, JR Green The Journal of Chemical Physics 145 (8), 2016 | 17 | 2016 |
| 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 | 17 | 2013 |
| Reactive symbol sequences for a model of hydrogen combustion M Alaghemandi, JR Green Physical Chemistry Chemical Physics 18 (4), 2810-2817, 2016 | 15 | 2016 |
| 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 | 15 | 2011 |
| Ignition in an atomistic model of hydrogen oxidation M Alaghemandi, LB Newcomb, JR Green The Journal of Physical Chemistry A 121 (8), 1686-1692, 2017 | 14 | 2017 |
Frédéric LeroyVerified email at theo.chemie.tu-darmstadt.de