Prospective on multiscale simulation of virus-like particles: Application to computer-aided vaccine design A Abi Mansour, YV Sereda, J Yang, PJ Ortoleva Vaccine 33 (44), 5890-5896, 2015 | 15 | 2015 |
Alternating metastable/stable pattern in the mercuric iodide crystal formation outside the Ostwald rule of stages MM Ayass, A Abi Mansour, M Al-Ghoul The Journal of Physical Chemistry A 118 (36), 7725-7731, 2014 | 11 | 2014 |
Multiscale factorization method for simulating mesoscopic systems with atomic precision A Abi Mansour, PJ Ortoleva Journal of Chemical Theory and Computation 10 (2), 518-523, 2014 | 11 | 2014 |
Scaling and crossover dynamics in the hyperbolic reaction-diffusion equations of initially separated components A Abi Mansour, M Al Ghoul Physical Review E 84 (2), 026107, 2011 | 10 | 2011 |
ProtoMD: A prototyping toolkit for multiscale molecular dynamics E Somogyi, A Abi Mansour, PJ Ortoleva Computer Physics Communications 202, 337-350, 2016 | 8 | 2016 |
XRCT characterization of mesoscopic structure in poured and tapped cohesive powders and prediction by DEM A Abi-Mansour, S McClure, M Gentzler Powder technology 330, 386-396, 2018 | 7 | 2018 |
Reverse coarse-graining for equation-free modeling: application to multiscale molecular dynamics A Abi Mansour, PJ Ortoleva Journal of Chemical Theory and Computation 12 (11), 5541-5548, 2016 | 7 | 2016 |
Implicit time integration for multiscale molecular dynamics using transcendental Padé approximants A Abi Mansour, PJ Ortoleva Journal of Chemical Theory and Computation 12 (4), 1965-1971, 2016 | 7 | 2016 |
Band propagation, scaling laws, and phase transition in a precipitate system. 2. Computational study AA Mansour, M Al-Ghoul The Journal of Physical Chemistry A 119 (35), 9201-9209, 2015 | 7 | 2015 |
Vertex-based finite volume simulation of Liesegang patterns on structureless meshes A Abi Mansour, M Al-Ghoul Physical Review E 89 (3), 033303, 2014 | 7 | 2014 |
PyGran: An object-oriented library for DEM simulation and analysis A Abi-Mansour SoftwareX 9, 168-174, 2019 | 5 | 2019 |
Multiscale Molecular Dynamics Approach to Energy Transfer in Nanomaterials JM Espinosa-Duran, YV Sereda, A Abi-Mansour, P Ortoleva Journal of Chemical Theory and Computation 14 (2), 916-928, 2018 | 4 | 2018 |
Virtual Molecular Dynamics YV Sereda, AA Mansour, PJ Ortoleva arXiv preprint arXiv:1709.05609, 2017 | 1 | 2017 |
Multiscale time-dependent density functional theory: Demonstration for plasmons J Jiang, A Abi Mansour, PJ Ortoleva The Journal of Chemical Physics 147 (5), 2017 | 1 | 2017 |
Bridging the gap between continuous and atomistic models in heat transfer JE Duran, Y Sereda, AA Mansour, P Ortoleva ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | 1 | 2016 |
Pygran-Sim: An Interoperability Tool for Running DEM Simulation A Abi-Mansour 2021 AIChE Annual Meeting, 2021 | | 2021 |
Characterization of Mesoscopic Structure in Cohesive Powder, Neat or Blended, By X-Ray Computed Tomography and Prediction By the Discrete Element Method S McClure, A Abi-Mansour, M Gentzler 8th World Congress on Particle Technology, 2018 | | 2018 |
A Combined Experimental-Computational Study of Cohesive Powders Under Consolidation By Xrct Image Analysis and DEM Simulation A Abi-Mansour, S McClure, M Gentzler, W Zheng 2017 AIChE Annual Meeting, 2017 | | 2017 |
Longtime simulation of dynamical fractures in vault nanoparticles through multiscale molecular dynamics JE Duran, AA Mansour, P Ortoleva ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
DMS: An equation-free multiscale molecular dynamics simulator AA Mansour, P Ortoleva ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |