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Chowdhury Ashraf
Chowdhury Ashraf
Data Scientist, Dun & Bradstreet
Verified email at dnb.com
Title
Cited by
Cited by
Year
Extension of the ReaxFF combustion force field toward syngas combustion and initial oxidation kinetics
C Ashraf, ACT Van Duin
The Journal of Physical Chemistry A 121 (5), 1051-1068, 2017
1672017
Atomistic scale analysis of the carbonization process for C/H/O/N-based polymers with the ReaxFF reactive force field
M Kowalik, C Ashraf, B Damirchi, D Akbarian, S Rajabpour, ...
The Journal of Physical Chemistry B 123 (25), 5357-5367, 2019
812019
Accelerated ReaxFF simulations for describing the reactive cross-linking of polymers
A Vashisth, C Ashraf, W Zhang, CE Bakis, ACT Van Duin
The Journal of Physical Chemistry A 122 (32), 6633-6642, 2018
802018
Pyrolysis of binary fuel mixtures at supercritical conditions: A ReaxFF molecular dynamics study
C Ashraf, S Shabnam, A Jain, Y Xuan, ACT van Duin
Fuel 235, 194-207, 2019
632019
ReaxFF simulations of laser-induced graphene (LIG) formation for multifunctional polymer nanocomposites
A Vashisth, M Kowalik, JC Gerringer, C Ashraf, ACT Van Duin, MJ Green
ACS Applied Nano Materials 3 (2), 1881-1890, 2020
492020
ReaxFF based molecular dynamics simulations of ignition front propagation in hydrocarbon/oxygen mixtures under high temperature and pressure conditions
C Ashraf, A Jain, Y Xuan, ACT Van Duin
Physical Chemistry Chemical Physics 19 (7), 5004-5017, 2017
472017
Effect of chemical structure on thermo-mechanical properties of epoxy polymers: Comparison of accelerated ReaxFF simulations and experiments
A Vashisth, C Ashraf, CE Bakis, ACT van Duin
Polymer 158, 354-363, 2018
342018
Unveiling carbon ring structure formation mechanisms in polyacrylonitrile-derived carbon fibers
J Zhu, Z Gao, M Kowalik, K Joshi, CM Ashraf, MI Arefev, Y Schwab, ...
ACS applied materials & interfaces 11 (45), 42288-42297, 2019
222019
Reactive molecular dynamics simulations of the atomic oxygen impact on epoxies with different chemistries
C Ashraf, A Vashisth, CE Bakis, ACT Van Duin
The Journal of Physical Chemistry C 123 (24), 15145-15156, 2019
212019
Converting PBO fibers into carbon fibers by ultrafast carbonization
L Zhang, M Kowalik, Z Gao, CM Ashraf, S Rajabpour, C Bumgardner, ...
Carbon 159, 432-442, 2020
202020
Development of a charge-implicit ReaxFF potential for hydrocarbon systems
M Kański, D Maciazek, Z Postawa, CM Ashraf, ACT Van Duin, BJ Garrison
The Journal of Physical Chemistry Letters 9 (2), 359-363, 2018
182018
Defect Design of Two-Dimensional MoS2 Structures by Using a Graphene Layer and Potato Stamp Concept
DE Yilmaz, R Lotfi, C Ashraf, S Hong, ACT Van Duin
The Journal of Physical Chemistry C 122 (22), 11911-11917, 2018
142018
Modified random sequential adsorption model for understanding kinetics of proteins adsorption at a liquid–solid interface
H Min, E Freeman, W Zhang, C Ashraf, D Allara, ACT van Duin, ...
Langmuir 33 (29), 7215-7224, 2017
132017
Continuous molecular representations of ionic liquids
W Beckner, C Ashraf, J Lee, DAC Beck, J Pfaendtner
The Journal of Physical Chemistry B 124 (38), 8347-8357, 2020
102020
Data science in chemical engineering: Applications to molecular science
C Ashraf, N Joshi, DAC Beck, J Pfaendtner
Annual Review of Chemical and Biomolecular Engineering 12, 15-37, 2021
42021
Development and Applications of the ReaxFF Reactive Force Field for Biological Systems
YK Shin, CM Ashraf, ACT van Duin
Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives …, 2021
42021
Reactive Molecular Dynamics Simulation of Accelerated Cross-linking and Disintegration of Bisphenol F/DETDA Polymer using ReaxFF
A Vashisth, C Ashraf, CE Bakis, A Van Duin
American Society for Composites (ASC) 33rd Annual Technical Conference, the …, 2018
42018
Assessing the Performance of Various Stochastic Optimization Methods on Chemical Kinetic Modeling of Combustion
C Ashraf, J Pfaendtner
Industrial & Engineering Chemistry Research 59 (43), 19212-19225, 2020
32020
Application of ReaxFF-Reactive molecular dynamics and continuum methods in high-temperature/pressure pyrolysis of fuel mixtures
C Ashraf, S Shabnam, Y Xuan, ACT van Duin
Computational Approaches for Chemistry Under Extreme Conditions, 161-185, 2019
22019
Using data science to locate nanoparticles in a polymer matrix composite
J Thiem, DP Cole, U Dubey, A Srivastava, C Ashraf, TC Henry, CE Bakis, ...
Composites Science and Technology 218, 109205, 2022
12022
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