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Md Mahbubul Islam
Md Mahbubul Islam
Assistant Professor of Mechanical Engineering, Wayne State University
Verified email at wayne.edu - Homepage
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Cited by
Cited by
Year
The ReaxFF reactive force-field: development, applications and future directions
TP Senftle, S Hong, MM Islam, SB Kylasa, Y Zheng, YK Shin, ...
npj Computational Materials 2 (1), 1-14, 2016
16862016
ReaxFF molecular dynamics simulations on lithiated sulfur cathode materials
MM Islam, A Ostadhossein, O Borodin, AT Yeates, WW Tipton, RG Hennig, ...
Physical Chemistry Chemical Physics 17 (5), 3383-3393, 2015
1822015
eReaxFF: a pseudoclassical treatment of explicit electrons within reactive force field simulations
MM Islam, G Kolesov, T Verstraelen, E Kaxiras, ACT Van Duin
Journal of chemical theory and computation 12 (8), 3463-3472, 2016
1132016
ReaxFF reactive force field simulations on the influence of teflon on electrolyte decomposition during Li/SWCNT anode discharge in lithium-sulfur batteries
MM Islam, VS Bryantsev, ACT Van Duin
Journal of the Electrochemical Society 161 (8), E3009, 2014
1072014
Reductive decomposition reactions of ethylene carbonate by explicit electron transfer from lithium: an eReaxFF molecular dynamics study
MM Islam, ACT Van Duin
The Journal of Physical Chemistry C 120 (48), 27128-27134, 2016
822016
Interactions of hydrogen with the iron and iron carbide interfaces: a ReaxFF molecular dynamics study
MM Islam, C Zou, ACT Van Duin, S Raman
Physical Chemistry Chemical Physics 18 (2), 761-771, 2016
712016
Mechanical properties of stanene under uniaxial and biaxial loading: A molecular dynamics study
S Mojumder, AA Amin, MM Islam
Journal of Applied Physics 118 (12), 2015
712015
Recent advances for improving the accuracy, transferability, and efficiency of reactive force fields
I Leven, H Hao, S Tan, X Guan, KA Penrod, D Akbarian, B Evangelisti, ...
Journal of chemical theory and computation 17 (6), 3237-3251, 2021
532021
Neural network reactive force field for C, H, N, and O systems
P Yoo, M Sakano, S Desai, MM Islam, P Liao, A Strachan
npj Computational Materials 7 (1), 9, 2021
532021
Decomposition and reaction of polyvinyl nitrate under shock and thermal loading: a ReaxFF reactive molecular dynamics study
MM Islam, A Strachan
The Journal of Physical Chemistry C 121 (40), 22452-22464, 2017
482017
Single-atom catalysts for improved cathode performance in Na–S batteries: a density functional theory (DFT) study
R Jayan, MM Islam
The Journal of Physical Chemistry C 125 (8), 4458-4467, 2021
452021
Unsupervised learning-based multiscale model of thermochemistry in 1, 3, 5-trinitro-1, 3, 5-triazinane (RDX)
MN Sakano, A Hamed, EM Kober, N Grilli, BW Hamilton, MM Islam, ...
The Journal of Physical Chemistry A 124 (44), 9141-9155, 2020
452020
Sensitivity of the shock initiation threshold of 1, 3, 5-triamino-2, 4, 6-trinitrobenzene (TATB) to nuclear quantum effects
BW Hamilton, MP Kroonblawd, MM Islam, A Strachan
The Journal of Physical Chemistry C 123 (36), 21969-21981, 2019
392019
Mechanical and vibrational characteristics of functionally graded Cu–Ni nanowire: a molecular dynamics study
M Islam, MSH Thakur, S Mojumder, A Al Amin, MM Islam
Composites Part B: Engineering 198, 108212, 2020
382020
Functionalized MXenes as effective polyselenide immobilizers for lithium–selenium batteries: a density functional theory (DFT) study
R Jayan, MM Islam
Nanoscale 12 (26), 14087-14095, 2020
382020
Role of Molecular Disorder on the Reactivity of RDX
M Sakano, B Hamilton, MM Islam, A Strachan
The Journal of Physical Chemistry C 122 (47), 27032-27043, 2018
382018
Reactive molecular dynamics simulations to investigate the shock response of liquid nitromethane
MM Islam, A Strachan
The Journal of Physical Chemistry C 123 (4), 2613-2626, 2019
372019
Pulse dynamics of electric double layer formation on all-solid-state graphene field-effect transistors
K Xu, MM Islam, D Guzman, AC Seabaugh, A Strachan, ...
ACS Applied Materials & Interfaces 10 (49), 43166-43176, 2018
362018
Investigation of the mechanical properties and fracture mechanisms of graphene/WSe2 vertical heterostructure: A molecular dynamics study
EH Chowdhury, MH Rahman, S Fatema, MM Islam
Computational Materials Science 188, 110231, 2021
342021
Atomistic representation of anomalies in the failure behaviour of nanocrystalline silicene
T Rakib, S Saha, M Motalab, S Mojumder, MM Islam
Scientific Reports 7 (1), 14629, 2017
332017
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Articles 1–20