Book Chapter 

1

M M Islam  , M Cherukara, E Antillon, A Strachan “Shock-induced chemistry: molecular dynamics and coarse grain modeling” in Computational Approaches to Understanding Chemical Reactivity Under High Pressures, Springer, 2019

 Peer Reviewed Journals 

 2026 

75

[AI/ML] Pritom R, Islam MM* Generative AI-Driven Discovery of Next-Generation Electrolytes for Alkali Metal Batteries. IJ. Chem. Inf. Model.I 2026, 66, 7, 3747–3758 .

74

[Nanomaterials] Aral, G., Islam, M. M., and Amodeo, J. Molecular dynamics study on the coupled effects of size and pre-existing oxide layer on the compressive mechanical properties of copper nanowires. Computational Materials Science, 2026, 262, 114341.

73

[Na-CO2 Batteries] Jayan, R; Mani, S; Islam MM*, Mechanistic Insights into CO2 Capture and Electrochemical Conversion in Nonaqueous Na-CO2 Batteries, Journal of Materials Chemistry A

 2025 

72

[Geochemistry] Rash, D. van Maarseveen, JH; Geenevasen, JAJ; Tegelaar, E; Pureveen, J; Nijenhuis, RK; Westerveld, N; Islam, M.M. ; van Duin, ACT; Stefan Schouten; Sinninghe Damsté, Jaap S. Towards stable chemical fossils for anaerobic ammonium-oxidizing bacteria in palaeoenvironmental studies: novel cyclic aliphatic hydrocarbons as potential dia- and catagenetic products of ladderane lipids, Geochimica et Cosmochimica Acta (2025)

71

[Li-Se Batteries] Mani, S Islam, M.M. , Tuning polysulfide adsorption and catalytic activity via surface functionalization of Nb2TiN2 MXene in Na–S batteries. Nanoscale (2025)

70

[Nanomaterials] Pritom, R; Nandi, N; Nahian, MS; Jayan, R; Islam, M.M. , Computational discovery of a novel double transition metal nitride MXene and its applications as an anchoring and catalytic material in Li–Se batteries . Journal of Materials Chemistry A (2025)

69

[Nanomaterials] Aral, G Islam, M.M. , Amodeo, J, Molecular dynamics study on the coupled effects of size and pre-existing oxide layer on the compressive mechanical properties of copper nanowires. Computational Materials Science (2025)

 2024 

68

[Nanomaterials] M.A.S.R. Saadi, F.H. Likhi, M. D. Nath, R. Jayan, F. Zahin, M. S. H. Thakur, Y. Yuan, Islam, M.M. , R. Panat, A. Karim, P. M. Ajayan, M. M. Rahman, Algae-derived Nacre-like Dielectric Bionanocomposite with High Loading Hexagonal Boron Nitride for Green Electronics. ACS Nano (2024)

67

[Graphitization] Nahian, M. S., Pritom, R., and Islam, M. M.* Mechanistic Insights into the Evolution of Graphitic Carbon from Sulfur Containing Polar Aromatic Feedstock. ACS Applied Materials and Interfaces, 2024, 16, 41, 55478–55489

66

[Water Electrolysis] Nagappan, S., Jayan, R., Rajagopal, N., Krishnan, A.V., Islam, M.M. and Kundu, S., Tailoring Mott− Schottky RuO2/MgFe‐LDH Heterojunctions in Electrospun Microfibers: A Bifunctional Electrocatalyst for Water Electrolysis. Small (2024), p.2403908.

65

[Mg-CO2/ML/DFT] Pritom, R, Jayan, R; and Islam, M. M.*; Unraveling the effect of single atom catalysts on the charging behavior of nonaqueous Mg–CO2 batteries: a combined density functional theory and machine learning approach, Journal of Materials Chemistry A , (2024), 12, 2335-2348

 2023 

64

[Graphitization] Nahian, S, Pritom, R; Islam, M. M.*; Revealing Mechanistic Insights into Amorphous Graphite Formation from Oxygenated Polar Heavy-End Aromatic Feedstock, J. Phys. Chem. C , (2023), 127, 40, 20146–20156

63

[Mg-CO2 Batteries] Jayan, R; Islam, M. M.*; Understanding Catalytic Mechanisms and Cathode Interface Kinetics in Nonaqueous Mg–CO2 Batteries, ACS Appl. Mater. Interfaces , 2023, 15, 39, 45895–45904

62

[Mg-CO2 Batteries] Jayan, R; Islam, M. M.*; Advancing next-generation nonaqueous Mg–CO2 batteries: insights into reaction mechanisms and catalyst design, Journal Materials Chemistry A , 2023,11, 15915-15923

61

[Energetic Materials] Pritom, R; Nahian, M S; Jayan, R; Islam, M. M.*; Mechanistic Elucidation of Shock Response of Bis(1,2,4-oxadiazole)bis(methylene) Dinitrate (BOM), Journal of Applied Physics , 133, 085101 (2023)

60

[Electrocatalysis] Madhu, R; Jayan, R, Karmakar,A, Jayan R, Islam, M. M.*, Kundu S, Structural Modulation of Low Valent Iron in LDH Derived Ni3Se4 Nanosheets: A Breakthrough Electrocatalyst for overall water splitting reaction, Journal of Materials Chemistry A , 2023

59

[Electrocatalysis] Karmakar,A, Madhu, R; Jayan, R, Krishnan, Jayan R, Islam, M. M., Kundu S, “Achieving a volcanic relationship of accumulated charge on the catalyst surface and thermoneutral current density with adjusted Ru NP over 2D hydroxide for water splitting reaction, ACS Applied Materials and Interfaces, 2023

58

[Energetic Materials] Hamilton, B.W., Yoo, P., Sakano, M.N., Islam, M. M. and Strachan, A., 2023. High Pressure and Temperature Neural Network Reactive Force Field for Energetic Materials, J of Chemical Physics, 2023

57

[Nanomaterials]Aral, G., and & Islam, M. M.*, Effect of oxidation on mechanical properties of copper nanowire: A ReaxFF (reactive force field) molecular dynamics study. Journal of Applied Physics, , 133(9), 095302 (2023)

 2022 

56

[Machine Learning] Malakar, P., Thakur, M. S. H., Nahid, S. M., & Islam, M. M.*, Data-Driven Machine Learning to Predict Mechanical Properties of Monolayer Transition-Metal Dichalcogenides for Applications in Flexible Electronics ACS Applied Nano Materials, 2022

55

[Zn-Air Batteries] Nair, A.N., Sanad, M.F., Jayan, R., Gutierrez, G., Ge, Y., Islam, M.M., Hernandez‐Viezcas, J.A., Zade, V., Tripathi, S., Shutthanandan, V. and Ramana, C.V., 2022. Lewis Acid Site Assisted Bifunctional Activity of Tin Doped Gallium Oxide and Its Application in Rechargeable Zn‐Air Batteries. Small, 18(34),2202648.

54

[OER] Madhu, R., Jayan, R., Karmakar, A., Selvasundarasekar, S.S., Kumaravel, S., Bera, K., Nagappan, S., N Dhandapani, H., Islam, M.M. and Kundu, S.,. Rationally Constructing Chalcogenide–Hydroxide Heterostructures with Amendment of Electronic Structure for Overall Water-Splitting Reaction. ACS Sustainable Chemistry & Engineering., 2022

53

[Li-S Battery] Jayan, R, Nahian, M.S, Islam, MM*, Homogenous Organometallic Catalysts for Improved Electrochemical Kinetics of Li-S Batteries, (2022), ACS Applied Energy Materials, 2022

52

[Na/Li-S Batteries] Nahian, M.S, Jayan, R, Islam, MM; Atomic-scale Insights into Comparative Mechanisms and Kinetics of Na-S and Li-S Batteries, ACS Catalysis, 2022, 12, 7664–7676

51

[Na-S Batteries] Nahian, M.S, Jayan, R, Kaewmarayab T, Hussain, T;   Islam MM*  , Elucidating the Synergistic Mechanisms of Adsorption and Electrocatalysis of Polysulfides on Double Transition Metal MXenes for Na-S Batteries,   ACS Applied Materials and Interfaces, 2022, 14, 8, 10298-10307

50

[Li-S Batteries] Mahankali, K, Masurkara, N, Thangavela, NK, Jayan, R , Gottumukkalab, SV, Sawasa A , Islam MM, and Arava, LMR, Unraveling the Role of Transition Metal Dichalcogenide Phase Transformations in Lithium-Sulfur Batteries, ACS Applied Materials and Interfaces 2022, 14, 21, 24486–24496

49

[Materials] Alvi, SMAA; Faiyad, Munshi; MMM, Saha, S; Motalab, M; Islam MM; MEAM parameterization for cyclic and tensile deformations of Gold-Silver core-shell systems, Mechanics of Materials (2022)

48

[MXenes] Jayan, R, Vashisth, A,  Islam M M* , First-principles Investigation of Elastic and Electronic Properties of Double Transition Metal MXenes,  J of American Society of Ceramics (2022)

47

[Na-S1 Batteries] Jayan, R,  Islam M M , Design Principles of Bifunctional Electrocatalyst for Engineered Interfaces in Na-S Batteries;  ACS Catalysis,   2021, 11, 24, 15149–15161

 2021 

46

[Na-S batteries] Jayan, R;  Islam, MM ; Mechanistic Understanding on the Polysulfides Interactions at the VS2 Interfaces: A DFT study,  ACS Applied Materials and Interfaces , 2021, 13, 30, 35848–35855

45

[Nanomaterials] Urquiza, M.L;  Islam, M.M ; Cartoix`a, X; and Strachan, A; Atomistic insights on the full operation cycle of a HfO2-based RRAM cell from molecular dynamics;  ACS Nano , 2021, 15, 8, 12945–12954

44

[2D Nanomaterials] Faiyad, A.; Munshi, M. A. M.; ;  Islam, M. M ; Saha, S; Deformation mechanisms of Inconel-718 at nanoscale by molecular dynamics,  Physical Chemistry Chemical Physics , 2021: 10650-10661

43

[eReaxFF] Leven,I; Hao, H; Tan, S; Guan, X; Penrod, KA; Akbarian, D; Evangelisti, B; Hossain, MJ;  Islam, MM ; Koski, J; Moore,S; Aktulga, HM; van Duin,A; Head-Gordon, T; Recent Advances for Improving the Accuracy, Transferability and Efficiency of Reactive Force Fields;  J. Chem. Theory Comput.  2021, 17,6, 3237–3251

42

[2D materials]  Jamil, M. F., Jony, M. S. A., Akash, T. S., Subad, R. A.,  Islam, M. M .* Atomistic elucidation of mechanical properties and fracture phenomenon of defective indium selenide monolayer.  Computational Condensed Matter , 2022, e00637.

41

Jayan, R.;  Islam, M. M .* Single-Atom Catalysts for Improved Cathode Performance in Na–S Batteries: A Density Functional Theory (DFT) Study.  J. Phys. Chem. C    2021, 125, 8, 4458  –  4467 .

40

[ Nanomaterials ] TMT Oishi, P Malakar, M Islam,  MM Islam* , Atomic-scale perspective of mechanical properties and fracture mechanisms of graphene/WS2/graphene heterostructure, Computational Condensed Matter 29,  2021 , e00612

39

[Li-ion batteries] Thangavel, N. K.; Mundhe, S.;  Islam, M. M. ; Newaz, G.; Arava, L. M. R. Probing of Internal Short Circuit in Lithium-Ion Pouch Cells by Electrochemical Impedance Spectroscopy under Mechanical Abusive Conditions.  J. Electrochem. Soc.  167.16 (2021): 160553.

38

[2D Nanomaterials] Chowdhury, E. H.; Rahman, Md. H.; Fatema, S.;  Islam, M. M.  Investigation of the Mechanical Properties and Fracture Mechanisms of Graphene/WSe2 Vertical Heterostructure: A Molecular Dynamics Study.  Computational Material Science  2021, 188, 110231.

37

[Energetic Materials] Yoo, P.; Sakano, M.; Desai, S.;  Islam, M. M. ; Liao, P.; Strachan, A. Neural Network Reactive Force Field for C, H, N, and O Systems.  Nature Comput. Mater.  2021, 7 (1), 1–10.

36

[Energetic Materials] Ford, J.; Seritan, S.; Zhu, X.; Sakano, M. N.;  Islam, M. M. ; Strachan, A.; Martínez, T. J. Nitromethane Decomposition via Automated Reaction Discovery and an Ab Initio Corrected Kinetic Model.  Phys. Chem. A  2021, 125, 7, 1447–1460.

35

[Nanomaterials] Aral, G,  Islam, MM,  Atomic-scale investigation of the effect of surface carbon coating on oxidation and mechanical properties of iron nanowire,  New Journal of Chemistry , 2021, 45 (46), 21763-21774

34

[2D Nanomaterials] Rahman, MH; Islam, MS, Islam, MS; Chowdhury, EH; Bose, P; Jayan, R;  Islam MM;  Phonon Thermal Conductivity of Stanene/hBN van Der Waals Heterostructure,  Physical Chemistry Chemical Physics , 2021, 23, 11028-11038

33

[2D Nanomaterials] Rahman, Md. H.; Chowdhury, E. H.; Bin Shahadat, M. R.;  Islam, M. M.*  Engineered Defects to Modulate the Phonon Thermal Conductivity of Silicene: A Nonequilibrium Molecular Dynamics Study.  Computational Material Science  2021, 191, 110338.

32

[Nanomaterials] Chowdhury, E. H.; Rahman, Md. H.; Jayan, R.;  Islam, M. M.*  Atomistic Investigation on the Mechanical Properties and Failure Behavior of Zinc-Blende Cadmium Selenide (CdSe) Nanowire.  Computational Material Science  2021, 186, 110001.

 2020 

31

[2D Nanomaterials] Akash, T. S.; Subad, R. A. S. I.; Bose, P.;  Islam, M. M.  Nanomechanics of Antimonene Allotropes Under Tensile Loading.  Phys. Chem. Chem. Phys.  2021, 23, 6241-6251.

30

[ Li-S batteries ] Jayan, R.;  Islam, M. M .* First-Principles Investigation of the Anchoring Behavior of Pristine and Defect-Engineered Tungsten Disulfide for Lithium–Sulfur Batteries.  J. Phys. Chem. C   2020 , 124 (50), 27323–27332.

29

[Energetic Materials]  Islam, M. M. ; Strachan, A. Role of Dynamical Compressive and Shear Loading on Hotspot Criticality in RDX via Reactive Molecular Dynamics.  J. Appl. Phys.  2020, 128 (6), 065101.

28

[ Li-Se batteries ] Jayan, R.;  Islam, M. M .* Functionalized MXenes as Effective Polyselenide Immobilizers for Lithium–Selenium Batteries: A Density Functional Theory (DFT) Study.  Nanoscale   2020 , 12 (26), 14087–14095.

27

[2D Nanomaterials] Chowdhury, E. H.; Rahman, M. H.; Bose, P.; Jayan, R.;  Islam, M. M.  Atomic-Scale Analysis of the Physical Strength and Phonon Transport Mechanisms of Monolayer β-Bismuthene.  Phys. Chem. Chem. Phys.  2020, 22 (48), 28238–28255.

26

[Energetic Materials] Sakano, M. N.; Hamed, A.; Kober, E. M.; Grilli, N.; Hamilton, B. W.;  Islam, M. M. ; Koslowski, M.; Strachan, A. Unsupervised Learning-Based Multiscale Model of Thermochemistry in 1,3,5-Trinitro-1,3,5-Triazinane (RDX).  J. Phys. Chem. A  2020, 124 (44), 9141–9155.

25

[Nanomaterials] Rahman, Md. H.; Chowdhury, E. H.;  Islam, M. M*.  Understanding Mechanical Properties and Failure Mechanism of Germanium-Silicon Alloy at Nanoscale.  J. Nanoparticle Res.  2020, 22 (11), 311.

24

[Nanomaterials] Islam, M.; Thakur, M. S. H.; Mojumder, S.; Al Amin, A.;  Islam, M. M.*  Mechanical and Vibrational Characteristics of Functionally Graded Cu–Ni Nanowire: A Molecular Dynamics Study.  Compos. Part B Eng.  2020, 198, 108212.

23

[2D Nanomaterials] Subad, R. A. S. I.; Akash, T. S.; Bose, P.;  Islam, M. M.*  Engineered Defects to Modulate Fracture Strength of Single Layer MoS2: An Atomistic Study.  Phys. B Condens. Matter  2020, 592, 412219.

 2019 

22

[Energetic Materials] Hamilton, B. W.; Kroonblawd, M. P.;  Islam, M. M. ; Strachan, A. Sensitivity of the Shock Initiation Threshold of 1,3,5-Triamino-2,4,6-Trinitrobenzene (TATB) to Nuclear Quantum Effects.  J. Phys. Chem. C  2019, 123 (36), 21969–21981.

21

[Energetic Materials]  Islam, M. M. ; Strachan, A. Reactive Molecular Dynamics Simulations to Investigate the Shock Response of Liquid Nitromethane.  J. Phys. Chem. C  2019, 123 (4), 2613–2626.

20

[Materials] Aral, G.;  Islam, M. M. ; Wang, Y.-J.; Ogata, S.; van Duin, A. C. T. Atomistic Insights on the Influence of Pre-Oxide Shell Layer and Size on the Compressive Mechanical Properties of Nickel Nanowires.  J. Appl. Phys.  2019, 125 (16), 165102.

19

[Materials] Tripathi, S.;  Islam, M. M. ; Strachan, A. Phonon Thermal Transport in Encapsulated Copper Hybrids.  J. Appl. Phys.  2019, 125 (4), 045106.

18

[EDL] Xu, K.;  Islam, M. M. ; Guzman, D.; Seabaugh, A. C.; Strachan, A.; Fullerton-Shirey, S. K. Pulse Dynamics of Electric Double Layer Formation on All-Solid-State Graphene Field-Effect Transistors.  ACS Appl. Mater. Interfaces  2018, 10 (49), 43166–43176.

17

[Energetic Materials] Sakano, M.; Hamilton, B.;  Islam, M. M. ; Strachan, A. Role of Molecular Disorder on the Reactivity of RDX.  J. Phys. Chem. C  2018, 122 (47), 27032–27043.

16

[2D Nanomaterials] Das, S.; Mojumder, S.; Rakib, T.;  Islam, M. M*. ; Motalab, M. Atomistic Insights into Mechanical and Thermal Properties of Stanene with Defects.  Phys. B Condens. Matter  2019, 553, 127–136.

 2018 

15

[Organics] van Bree, L. G. J.;  Islam, M. M. ; Rijpstra, W. I. C.; Verschuren, D.; van Duin, A. C. T.; Sinninghe Damsté, J. S.; de Leeuw, J. W. Origin, Formation and Environmental Significance of Des-A-Arborenes in the Sediments of an East African Crater Lake.  Org. Geochem.  2018, 125, 95–108.

14

[2D Nanomaterials] Muhammad Nahid, S.; Nahian, S.; Motalab, M.; Rakib, T.; Mojumder, S.;  Islam, M.M.*  Tuning the Mechanical Properties of Silicene Nanosheet by Auxiliary Cracks: A Molecular Dynamics Study.  RSC Adv.  2018, 8 (53), 30354–30365.

13

[Materials] Aral, G.;  Islam, M.M. ; Duin, A. C. T. van. Role of Surface Oxidation on the Size Dependent Mechanical Properties of Nickel Nanowires: A ReaxFF Molecular Dynamics Study.  Phys. Chem. Chem. Phys.  2018, 20 (1), 284–298.

12

[Materials] Domínguez-Gutiérrez, F. J.; Krstić, P. S.; Allain, J. P.; Bedoya, F.;  Islam, M. M. ; Lotfi, R.; van Duin, A. C. T. Deuterium Uptake and Sputtering of Simultaneous Lithiated, Boronized, and Oxidized Carbon Surfaces Irradiated by Low-Energy Deuterium.  J. Appl. Phys.  2018, 123 (19), 195901.

11

[Nanomaterials] Aral, G.;  Islam, MM. ; Wang, Y.-J.; Ogata, S.; van Duin, A. C. T. Oxyhydroxide of Metallic Nanowires in a Molecular H 2 O and H 2 O 2 Environment and Their Effects on Mechanical Properties.  Phys. Chem. Chem. Phys.  2018, 20 (25), 17289–17303.

 2017 

10

[Energetic Materials]  Islam, M. M. ; Strachan, A. Decomposition and Reaction of Polyvinyl Nitrate under Shock and Thermal Loading: A ReaxFF Reactive Molecular Dynamics Study.  J. Phys. Chem. C  2017, 121 (40), 22452–22464.

9

[2D Nanomaterials] Rakib, T.; Saha, S.; Motalab, M.; Mojumder, S.;  Islam, M. M*.  Atomistic Representation of Anomalies in the Failure Behaviour of Nanocrystalline Silicene.  Nature Sci. Rep.  2017, 7 (1), 14629.

8

[Materials] Ambrogio, S.; Magyari-Köpe, B.; Onofrio, N.;  Islam, M. M. ; Duncan, D.; Nishi, Y.; Strachan, A. Modeling Resistive Switching Materials and Devices across Scales.  J. Electroceramics  2017, 1–22.

 2016 

7

[eReaxFF]  Islam, M. M. ; Kolesov, G.; Verstraelen, T.; Kaxiras, E.; van Duin, A. C. T. EReaxFF: A Pseudoclassical Treatment of Explicit Electrons within Reactive Force Field Simulations.  J. Chem. Theory Comput.  2016, 12 (8), 3463–3472.

6

[eReaxFF]  Islam, M. M. ; van Duin, A. C. T. Reductive Decomposition Reactions of Ethylene Carbonate by Explicit Electron Transfer from Lithium: An EReaxFF Molecular Dynamics Study.  J. Phys. Chem. C  2016, 120 (48), 27128–27134.

5

[eReaxFF] Senftle, T. P.; Hong, S.;  Islam, M. M. ; Kylasa, S. B.; Zheng, Y.; Shin, Y. K.; Junkermeier, C.; Engel-Herbert, R.; Janik, M. J.; Aktulga, H. M.; et al. The ReaxFF Reactive Force-Field: Development, Applications and Future Directions.  Nature Comput. Mater.  2016, 2, 15011.

4

[Materials]  Islam, M. M. ; Zou, C.; van Duin, A. C. T.; Raman, S. Interactions of Hydrogen with the Iron and Iron Carbide Interfaces: A ReaxFF Molecular Dynamics Study.  Phys. Chem. Chem. Phys.  2016, 18 (2), 761–771.

 2015 

3

[Li-S batteties]  Islam, M. M. ; Ostadhossein, A.; Borodin, O.; Yeates, A. T.; Tipton, W. W.; Hennig, R. G.; Kumar, N.; Duin, A. C. T. van. ReaxFF Molecular Dynamics Simulations on Lithiated Sulfur Cathode Materials.  Phys. Chem. Chem. Phys.  2015, 17 (5), 3383–3393.

2

[2D Nanomaterials] Mojumder, S.; Amin, A. A.;  Islam, M. M*.  Mechanical Properties of Stanene under Uniaxial and Biaxial Loading: A Molecular Dynamics Study.  J. Appl. Phys.  2015, 118 (12), 124305.

 2014 

1

[Li-S batteties]  Islam, M. M. ; Bryantsev, V. S.; Duin, A. C. T. van. ReaxFF Reactive Force Field Simulations on the Influence of Teflon on Electrolyte Decomposition during Li/SWCNT Anode Discharge in Lithium-Sulfur Batteries.  J. Electrochem. Soc.  2014, 161 (8), E3009–E3014.

 Research Tool Development 

1

Thakur,MSH;  Islam, MM  (2020), "Thermal Conductivity Simulator," https://nanohub.org/resources/thermalcond. (DOI: 10.21981/QXAA-B585)

2

Thakur, MSH; Islam, M; Amin, AA; Mojumder, S;  Islam, MM  (2019), "LAMMPS Input Structure Generator for Functionally Graded Materials (FGM)," https://nanohub.org/resources/fgmbuilder. (DOI: 10.21981/JC41-XT92)

3

Tripathi, S; Cotter, RA; Utamsing, S;  Islam, MM , Kivy, MB; Strachan, A (2019), "Random and Special Quasirandom Structure Generator," https://nanohub.org/resources/sqsatat.(DOI: 10.21981/0AE8-KB43)




 Conference/Poster Presentation 


19. [Keynote Speaker] Islam, M M, Energy Storage Discussion, Mexico City, Mexico, October 2019

18. Islam, M M, B Hamilton, M Sakano, P Yoo, P Liao, A Strachan, “ReaxFF Predictions on Detonation Properties and Reaction Kinetics across the Energetic Materials”, 21st Biennial Conference of the APS Topical Group on Shock Compression of Condensed Matter, Portland, OR, June 2019

17. Islam, M M, A Strachan, ”Influence of Combined Normal and Shear Loading on the Hotspot Criticality”, 21st Biennial Conference of the APS Topical Group on Shock Compression of Condensed Matter, Portland, OR, June 2019

16. Ke Xu, Eli Bostian, A Woeppel, H Ding, Islam, M M, D Guzman, A C Seabaugh, A Strachan, E J Beckman, SF Shirey, “Using Ions to Control Transport in Two-Dimensional Materials for Ion-Controlled Electronics”, 2018 IEEE 13th Nanotechnology Materials and Devices Conference (NMDC), 2018, Portland, OR

15. Islam, M M, A Strachan, "On the Determination of Accuracy of Various ReaxFF Models in Predicting Shock-Induced Physics and Chemistry of Energetic Materials", Gordon Research Conference on Energetic Material, Newry, ME, June 2018

14. M Sakano, B Hamilton, Islam, M M, A Strachan, "Role of Molecular Disorder on Reactivity of RDX, Gordon Research Conference on Energetic Material", Newry, ME, June 2018

13. Islam, M M, A Strachan, "Atomistic Insights into Decomposition and Reactions of Energetic Materials under Shock and Thermal Loading" TMS 2018 Annual Meeting, Phoenix, AZ, March 2018

12. Islam, M M, A Strachan, “The Chemistry of Shocked High-energy Materials: Connecting Atomistic Simulations to Experiments", APS Shock Compression of Condensed Matter", Saint Louis, MO, July 2017

11. Islam, M M, A Strachan, "Towards validated chemistry at extreme conditions: reactive MD simulations of shocked Polyvinyl Nitrate (PVN), and Nitromethane" APS March Meeting, New Orleans, LA, March 2017

10. Islam, M M, Alireza Ostadhossein, Adri van Duin, Carbonaceous Electrode Materials for Li-S Batteries: A ReaxFF Reactive Force Field Study; Carbon 2016 Conference, July 2016, State College, PA

9. Adri van Duin, Chowdhury Ashraf, Abhishek Jain, Alireza Ostadhossein, Islam, M M, Yuan Xuan, Oleg Borodin, Applications of the ReaxFF force field for identifying reactive properties for complex materials and interfaces; 2016 TMS Annual Meeting & Exhibition,February 2016, Nashville, TN

8. Islam, M M, Grigory Kolesov, Efthimios Kaxiras, Adri C. T. van Duin, Reaxff Reactive Molecular Dynamics Simulations with Explicit Electrons and Applications to Battery Interfaces; 2015 AIChE annuual meeting, Salt Lake, UT, November 2015

7. Adri van Duin, Islam, M M, Alireza Ostadhossein, Murali Raju, Sulin Zhang, Efthimios Kaxiras, Oleg Borodin; (Invited) Applications of the Reaxff Force Field for Identifying Reactive Properties for Complex Battery Materials and Interfaces ; 228th Electrochemical Society Meeting, Phoenix, AZ, October 2015

6. Islam, M M, Grigory Kolesov, Efthimios Kaxiras, Adri C. T. van Duin, Treatment of Explicit Electrons in the ReaxFF Reactive Molecular Dynamics Simulations on Battery Interfaces; 250th ACS National Meeting, Boston, MA, August 2015

5. M. M Islam, and Sumathy Raman, Application of Reactive Molecular Dynamics Simulations to Surfaces and Interfaces, ExxonMobil Research and Engineering summer intern poster, Clinton, NJ, August 2014

4. Islam, M M, and Adri C. T. van Duin, Application of the ReaxFF reactive Force Field in the Li-based rechargeable batteries, 224 ECS meeting, San Francisco, CA, October 2013

3. Islam, M M, Alireza Ostadhossein, and Adri C. T. van Duin, Application of the ReaxFF reactive force field to Study Mechanical Properties of Lithiated Sulfur, 12th U.S. National Congress on Computational Mechanics (USNCCM12), Raleigh, NC, July 2013

2. Adri van Duin, Murali Raju, Islam, M M, ReaxFF based reactive molecular dynamics simulations on battery interfaces, ACS National meeting, New Orleans, April 2013

1. Murali Raju, Islam, M M, Adri van Duin, Ganesh Panchapakesan, Paul Kent and Andrew Stack , ReaxFF reactive force field development and applications to reactive interfaces, Poster presentation, FIRST Center Meeting, Oak Ridge National Lab, Oak Ridge, Tennessee, September 2012