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Andrew Abi-Mansour
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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
152015
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
112014
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
112014
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
102011
ProtoMD: A prototyping toolkit for multiscale molecular dynamics
E Somogyi, A Abi Mansour, PJ Ortoleva
Computer Physics Communications 202, 337-350, 2016
82016
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
72018
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
72016
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
72016
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
72015
Vertex-based finite volume simulation of Liesegang patterns on structureless meshes
A Abi Mansour, M Al-Ghoul
Physical Review E 89 (3), 033303, 2014
72014
PyGran: An object-oriented library for DEM simulation and analysis
A Abi-Mansour
SoftwareX 9, 168-174, 2019
52019
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
42018
Virtual Molecular Dynamics
YV Sereda, AA Mansour, PJ Ortoleva
arXiv preprint arXiv:1709.05609, 2017
12017
Multiscale time-dependent density functional theory: Demonstration for plasmons
J Jiang, A Abi Mansour, PJ Ortoleva
The Journal of Chemical Physics 147 (5), 2017
12017
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
12016
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
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