Original Research Publication


Selected Publication as 1st Author (IF=22.966), (Q1=3, Q2=2, Q3=3, Q4=4)

95. Ajoy Kumer and Md. Wahab Khan; The effect of alkyl chain and electronegative atoms in anion on biological activity of anilinium carboxylate bioactive ionic liquids and computational approaches by DFT functional and molecular docking; Heliyon (Elsevier & Cell Press); IF=3.92, (Q1); 7(7), (2021), e07509; DOI: https://doi.org/10.1016/j.heliyon.2021.e07509;  Click to read.

94. Ajoy Kumer, and Md. Wahab Khan; Synthesis, characterization and computational exploiration of antimicrobial agents by ortho toludinium caboxylate ionic liquids; Journal of Molecular Structure (Elsevier); IF-3.81 (Q2); 131087(2022); https://doi.org/10.1016/j.molstruc.2021.131087;  Click to read

93. Ajoy Kumer and Unesco Chakma; Developing the amazing photocatalyst of ZnAg2GeSe4, ZnAg2Ge0.93Fe0.07Se4 and ZnAg2Ge0.86Fe0.14Se4 through the computational explorations; Heliyon (Elsevier & Cell Press); IF=3.92, (Q1); 7(7) (2021), e07467; https://doi.org/10.1016/j.heliyon.2021.e07467;     Click to read

92. Ajoy Kumer, Unesco Chakma, Md. Masud Rana, Akhel Chandro, Shopnil Akash, Ahmed M. El-Shehawi, Mona M. Elseehy, Sarah Albogami; Investigation of the new inhibitors by Sulfadiazine and modified derivatives of α-D-glucopyranoside for White Spot Syndrome Virus disease of Shrimp by in silico: Quantum calculations, molecular docking, ADMET, and molecular dynamics study; Molecule (MDPI), IF=4.927 (Q1), 27(12), 3694(2022); https://doi.org/10.3390/molecules27123694;   Click to read

91. Ajoy Kumer, Unesco Chakma, Mohammed Mahbubul Matin; Bilastine based drugs as SARS-CoV-2 protease inhibitors: molecular docking, dynamics, and ADMET related studies; Orbital: The Electronic Journal of Chemistry; IF-0.50, SJR-0.17(Q4), 14(1), pp-15-23(2022); http://dx.doi.org/10.17807/orbital.v14i1.1642,        Click to read


90. Ajoy Kumer, Unesco Chakma, Md. Monsur Alam, Md. Shariful Islam, Nusrat Zahan Khandaker, Tomal Hossain, Purak Chakma, Al Nakib Chowdhury; Structural, electronic, optical properties and adsorption energy of BiVS4 photocatalyst used in wastewater treatment and comparison with a standard Photocatalyst BiVO4 computationally; ECS Transactions, IF=0.64 (Q2), 107 (1), 12109-12119(2022);  DOI:10.1149/10701.12109ecst;      Click to read


89. Ajoy Kumer, Unesco Chakma, Akhel Chandro; Shopnil Akash, Debashis Howlader, Md Eleas Kabir, Mohammed Mahbubul Matin; Modified D-Glucofuranose computationally screening for inhibitor of breast cancer and triple breast cancer: Chemical descriptor, Molecular docking, Molecular Dynamics and QSAR; Journal of the Chilean Chemical Society; IF=1.360 (Q3); 67, N°3 (2022), pp 5623-5635; http://dx.doi.org/10.4067/S0717-97072022000305623;        Click to read 


88. Ajoy Kumer; S. M. Abe Kawsar and Unesco Chackma; The inhibitory effect of some natural bioactive D-glucopyranoside derivatives against SARS-CoV-2 main protease (Mpro) and spike protease (Spro), ASM Science Journal; IF=0.34, SJR-0.12 (Q4) pp-1-18 (2021); https://doi.org/10.32802/asmscj.2021.884;   Click to read

87. Ajoy Kumer, Unesco Chakma, Md. Tawhidul Islam, Debashis Howlader, Tomal Hossain; The computational investigation of sixteen antiviral drugs against main protease (Mpro) and spike protease (Spro) of SARS-CoV-2; Journal of the Chilean Chemical Society, IF=1.360 (Q3); 66(4); (2021); 5339-5351; http://dx.doi.org/10.4067/s0717-97072021000405339;  Click to read


86. Ajoy Kumer, Unesco Chakma, Mohammed Mahbubul Matin, Shopnil Akash, Akhel Chandro; Debashis Howlader; The computational screening of inhibitor for black fungus and white fungus by D-glucofuranose derivatives using in silico and SAR study, Organic Communications; IF=0.81 (Q4); 14(4), 2021; pp-1-18; http://doi.org/10.25135/acg.oc.116.2108.2188;   Click to read

85. Ajoy Kumer, Mohammad Jahidul Islam, Sunanda Paul, Effect of external electric field and temperature on entropy, heat of capacity, and chemical reactivity with QSAR study of morphonium chloride and nitrous ionic liquids crystal using DFT, Chemical Methodologies, IF=0.24 (Q4), WOS indexed; 4(5) (2020), 595-604; DOI: 10.33945/SAMI/CHEMM.2020.5.6;   Click to read

84. Ajoy Kumer, Md. Nuruzzaman Sarkar, Sunanda Pual; The thermo physical, HOMO, LUMO, Vibrational spectroscopy and QSAR study of morphonium formate and acetate Ionic Liquid Salts using computational method, Turkish Computational and Theoretical Chemistry, Turkey, (Dergi Park), IF=1.14, (Q3); 3(2) (2019), pp-59-68; https://doi.org/10.33435/tcandtc.481878;   Click to read


Publication in 2023, IF=44.521, Q1=06, Q3=1, Q2=02, Q4=03


83. Md. Abdullah Al Mashud, Ajoy Kumer, Nobendu Mukerjee, Akhel Chandro, Swastika Maitra, Unesco Chakma, Abhijit Dey, Shopnil Akash, Athanasiosis Alexiou, Azmat Ali Khan, Amer M. Alanazi, Arabinda Ghosh, Kow-Tong Chen, Rohit Sharma; Mechanistic inhibition of Monkeypox and Marburg virus infection by O-rhamnosides and Kaempferol-o-rhamnosides derivatives: a new-fangled computational approach; Frontiers in Cellular and Infection Microbiology, (Frontiers), IF= 6.072, (Q1),Volume 13–2023; DOI:10.3389/fcimb.2023.1188763;

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82. Uddin, Kabir; Saki, Mohiuddin; Siraji, Siam; Uddin, Riaz; Rahman, Shofiur; Alodhay, Abdullah; Alibrahim, Khuloud; Ajoy Kumer; Matin, M.; Bhuiyan, Md. Mosharef; Synthesis of New Derivatives of Benzylidinemalononitrile and Ethyl 2-Cyano-3-phenylacrylate: In Silico Anticancer Evaluation; ACS Omega, IF=3.512 (Q1); 2023, https://doi.org/10.1021/acsomega.3c01123;     Click to read

81. Shopnil Akash, Farjana Islam Aovi, A.K Azad, Ajoy Kumer, Unesco Chakma, Rezaul Islam, "Nobendu Mukerjee, Mominur Rahman, Imren Bayıl, Summya Rashid, Rohit Sharma, A drug design strategy based on molecular docking and molecular dynamics simulations applied to development of inhibitor against triple-negative breast cancer by Scutellarein derivative; PLOS ONE, IF=3.72 (Q1), 2023, Accepted.


80. Shopnil Akash, Md. Eram Hosen, Sajjat Mahmood, Sumaiya J. Supti, Ajoy Kumer, Shamima Sultana, Sultana Janna, Imren Bayil, Hiba-Allah Nafidi, YOUSEF A BIN JARDAN, Amare Mekonnen, Mohammed Bourhia; Anti-parasitic drug discovery against Babesia microti by natural compounds; An extensive computational drug design approach, Frontiers in Cellular and Infection Microbiology, (Frontiers), IF= 6.072, (Q1), Volume 13–2023. doi: 10.3389/fcimb.2023.1222913;  Click to read


79. Md Abul Hasan Roni, Md. Golam Mortuza, Dr. Rozina, Ripon Kumar Shaha, Sajidul Hoque, Ajoy Kumer*; Identification of SARS-Cov-2 Inhibitors from Alkaloids by Using Molecular Modeling and in silico Approaches; Advanced Journal of Chemistry, Section A; Scopus, ISC (Q1, IF=1.091), Click to read


78. Md. Hazrat Ali, Halima Khatun, M.S.S. Khan, Shuva Roy, Shubha Roy, Ridoy Hossain, Md. Robiul Mia, Ashikur Rohman Khan, Syed Arfin Hussain, Md. Bayejid Hossen, Md. Barkat Ullah Khan, Abdul Kaiyum, Md Tauhidul Karim, Unesco Chakma, and Ajoy Kumer*; Theoretical and Computational exploration of Electronic Structure, Optical Properties, Open Circuit Voltage, and Toxicity of Perovskites Solar Cell: (Cs2Si:X6, X = Cl, Br, I); Hybrid Advances; Scopus, Elsevier;   Click to read


77. Ali, Md. Hazrat; Azad, Md. Abul Kalam; Khan, K.A.; Rahman, Md. Obaidur; Chakma, Unesco; Ajoy Kumer*; Crystallographic Structures and Properties Analysis of Silver Nanoparticles Synthesized by PKL Extract and using Nanoscale Characterization Techniques; ACS Omega, IF=3.512 (Q1); 2023, DOI: 10.1021/acsomega.3c01261,  Click to read

76. Unesco Chakma, Md. Hazrat Ali, Durjoy Kumar Das, Jui Rozline Boidya, Md. Barkat Ullah Khan, Md. Sultan Mahmud, Md. Likhon Hasan, Md. Rokanuzzaman, Mahadi Hasan Taraq, Zubair Ahmad, Abdul Kaiyum, and Ajoy Kumer*; First-principles calculations to investigate Structural, Optical and Electronic properties of ZrO2, Zr0.93Si0.07O2 and Zr0.86Si0.14O2 for dye-sensitized solar cells applications, Molecular Simulation, (Taylor and Francis), IF=2.29 (Q2), DOI: 10.1080/08927022.2023.2232887;  Click to read

75. Mohammad Jahidul Islam, Md. Sabbir Hasan Sohag, Unesco Chakma, Ajoy Kumer, Md. Monsur Alam, Mohammed Nazrul Islam Khan, Structural, Electronic, Elastic, Mechanical and Opto-electronic properties for ZnAg2SnS4 and ZnAg2Sn0.93Fe0.07S4 Photocatalyst Effort on Wastewater Treatment through the first principle study; Advances in Condensed Matter Physics; (Hindawi), IF-1.31 (Q3), 2023. Volume 2023, Article ID 8717656, https://doi.org/10.1155/2023/8717656;           Click to read

74. Golam Mortuza, Md Abul Hasan Roni, Ajoy Kumer, Suvro Biswas, Md. Abu Saleh, Shirmin Islam, Samia Sadaf, and Fahmida Akther; A Computational Study on Selected Alkaloids as SARS-CoV-2 Inhibitors: PASS Prediction, Molecular Docking, ADMET Analysis, DFT and Molecular Dynamics Simulations; Biochemistry Research International (Hindawi), Cite Score-2.80, 2023, Volume 2023, Article ID 9975275, 13 pages;  https://doi.org/10.1155/2023/9975275.      Click to read


73. Mahbub Alam, Mohammed Nurul Abser, Ajoy Kumer*, Md. Mosharef Hossain Bhuiyan, Parul Akter, Md. Emdad Hossain, and Unesco Chakma; Synthesis, Characterization, antibacterial activity of thiosemicarbazones derivatives and their Computational approaches: Quantum calculation, Molecular docking, Molecular dynamic, ADMET, QASR, Heliyon (Elsevier & Cell Press); IF=3.92, (Q1); 2023, https://doi.org/10.1016/j.heliyon.2023.e16222.     Click to read 

72. F. M. Mashood Ahamed, Malathi Challa, Sampath Chinnam, Gurushantha K, Ajoy Kumer, Sapana Jadoun, Ahmad Salawi, Unesco Chakma, Md. Abdullah Al Mashud, Indu Kumari; Molecular dynamics simulation, QSAR, DFT, molecular docking, ADMET, and synthesis of ethyl 3-((5-bromopyridin-2-yl)imino)butanoate analogues as potential inhibitors of SARS-CoV-2; Polycyclic Aromatic Compounds, (Taylor and Francis), IF= 3.744 (Q2); (2023); https://doi.org/10.1080/10406638.2023.2173618.        Click to read

71. Md. Hazrat Ali, Pritish Halder, Md. Siam Hossain, Julian Pretom Biswas, Sujan Sarker, Md. Kamruzzaman, Nurujjaman, Thamid, Md. Ishak Ali, Unesco Chakma and Ajoy Kumer*; Study on Pseudo-Potential Effect, Electronic Structure, Aquatic toxicity, and Optical Properties of Perovskites Solar Cell of Cs2NiCl6, Cs2NiBr6, and Cs2PtBr6; Current Chemistry Letter, IF=1.02 (Q3); (2023), DOI: 10.5267/j.ccl.2023.2.007.

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70. Shopnil Akash, Arafat Hossain, Nobendu Mukerjee, Md. Moklesur Rahman Sarker, Ajoy Kumer, Arabinda Ghosh, Darwin A. León-Figueroa, Joshuan J. Barboza, Bijaya Kumar Padhi, Ranjit Sah; Computational design of Novel Coptisine for treating the pathogenic black fungus (Rhizomucor miehei and Mycolicibacterium smegmatis), Monkeypox, and Marburg Virus; Frontiers in Pharmacology (Frontiers); IF=5.988 (Q1), doi: 10.3389/fphar.2023.1140494.      Click to read

69. Unesco Chakma, Ajoy Kumer*, Tomal Hossain, Md. Sayed Hossain, Md. Monsur Alam, Nusrat Jahan Khandakar, Md. Shariful Islam, Rubel Shaikh, Md. Hazrat Ali; Exploration of Electronic Structure and Optical Properties Hafnium (IV) oxide and its 12% Si, Ge and Sn with Material Data Analysis by computational methods; In: Hossain, M.S., Majumder, S.P., Siddique, N., Hossain, M.S. (eds) The Fourth Industrial Revolution and Beyond. Lecture Notes in Electrical Engineering, vol 980. PP-245-258, Springer, Singapore. https://doi.org/10.1007/978-981-19-8032-9_18;    Click to read


68. Sajia Islam, Shopnil Akash, Jannatul Ferdous, Ajoy Kumer*, Mohammed Al-Ghorbani, Mohammed Baashen, Abdullah M. Shbeer, Mohammed Ageel, Unesco Chakma, Imtiaj Hasan,9 Sultana Rajia, Yuki Fujii, Yasuhiro Ozeki, and Sarkar M. A. Kawsar; Glucopyranoside Derivatives as Potential Antimicrobial Agents: Synthesis, Anticancer, DFT, Molecular Docking, Molecular Dynamics and ADMET Predictions, Trends In Carbohydrate Research, IF=0.562, (Q4), Vol.15, No.1 (2023) 62-90; https://www.trendscarbo.com/getf_shoppingcart.php?id=694838944.   Click to read

 

 Publication in 2022; IF=34.122, Q1=1, Q2=8, Q3=4, Q4=2


67. Khondaker Afrina Hoque, Ajoy Kumer, Al-Nakib Chowdhury; Facile Synthesis of Computationally Designed MgAl2O4/CeO2/Cu2O and MgAl2O4/CeO2/Ag2O Smart Heterojunction Photocatalysts for Aqueous Organic Pollutants Degradation; ECS Transactions, IF=0.64 (Q2), 107 (1), (2022), 13785-13796 13785, DOI: 10.1149/10701.13785ecst

66. Mst. Sathi Khatun, Ajoy Kumer, Chanchal Kumar Roy, Al-Nakib Chowdhury; Fabrication of Cellulose Capped MnxOy−Ag Nanocomposites and Investigation of Its Oxidative and Antibacterial Efficacy in Water Environment, ECS Transactions, IF=0.64 (Q2), 107 (1), 15817-15824 (2022), 15817, DOI: 10.1149/10701.15817ecst .

65. Md. Anas Mahmud, Ajoy Kumer, Al-Nakib Chowdhury; Fabrication of computationally designed cathode and separator materials for a high-performance Na-ion battery; ECS transactions, IF=0.64 (Q2), 107 (1), 15681-15692 (2022), DOI:10.1149/10701.15681ecst.


64. Shopnil Akash, Ajoy Kumer, Akhel Chandro, Unesco Chakma, Mohammed Matin; Quantum Calculation, Docking, ADMET and Molecular Dynamic of Ketal and Non-ketal Forms of D-glucofuranose Against Bacteria, Black & White Fungus, and Triple-Negative Breast Cancer; Biointerface Research in Applied Chemistry; IF=2.23 (Q3), 12, 6, 2022, https://doi.org/10.33263/BRIAC00.000000  .

63. Unesco Chakma, Ajoy Kumer, Md. Abdullah Al Mashud, Md. Sayed Hossain, Md. Monsur Alam, Md. Shariful Islam, Rubel Shaikh, Ismat Jahan Jony and Jahedul Islam; Investigation of Electronic Structure, Optical Properties, Map of Electrostatic Potential and toxicity of HfO2, Hf0.88Si0.12O2, Hf0.88Ge0.12O2 and Hf0.88Sn0.12O2 by computational and virtual screening; Journal of Computational Electronics; Springer Nature; IF=2.40 (Q2); 2022; DOI:10.1007/s10825-022-01964-z.

62. Sarkar Mohammad Abe Kawsar; Ajoy Kumer, Nasrin S. Munia, Mohammed A. Hosen, Unesco Chakma and Shopnil Akash; Chemical descriptor, PASS, Molecular docking, molecular dynamics, and ADMET prediction of glucopyranoside derivatives as inhibitor of bacteria and fungi; Organic Communications; IF-0.810 (Q4); 2022 15(2), 1-20, DOI: 10.25135/acg.oc.122.2203.2397.

61. Shopnil Akash, Ajoy Kumer, Md. Mominur Rahman, Talha Bin Emran, Rohit Sharma, Rajeev K. Singla, Fahad A. Alhumaydhi, Mayeen Khandaker, Abubakr M. Idris, Polrat Wilairatana; Development of New Bioactive Molecules to Treat Breast and Lung Cancer with Natural Myricetin and its Derivatives: A Computational and SAR Approach, Frontiers in Cellular and Infection Microbiology, (Frontiers), IF= 6.072, (Q1), 2022; DOI: 10.3389/fcimb.2022.952297

60. Moly Rani, Ashutosh Nath; and Ajoy Kumer, In-silico investigations on the anticancer activity of selected 2-aryloxazoline derivatives against breast cancer; Journal of Bio-molecular Structure & Dynamics, (Taylor and Francis), IF=5.325 (Q2); (2022); https://doi.org/10.1080/07391102.2022.2134208

59. Heba Ezat Hashem, Ashutosh Nath and Ajoy Kumer*; Synthesis, Molecular docking, quantum calculation, and Antibacterial Activity of New Schiff base-metal Complexes; Journal of Molecular Structure, (Elsevier) IF=3.810 (Q2); (2022), https://doi.org/10.1016/j.molstruc.2021.131915

58. Mohammad Atiqur Rahman, Unesco Chakma, Ajoy Kumer, Md. Rezaur Rahman, Mohammed Mahbubul Matin; Uridine-Derived 4-Aminophenyl 1-Thioglucosides: DFT Optimized FMO, ADME, and Antiviral Activities Study; Biointerface Research in Applied Chemistry; IF=2.24 (Q3), 13, 1, 2023, 52, https://doi.org/10.33263/BRIAC131.052

57. P. Matin, M. M. Matin, Md. R. Rahman and Ajoy Kumer; Synthesis, Antifungal Activity, and Molecular Docking Studies of Some New Di-OIsopentanoyl Glucopyranosides; Physical Chemistry Research, IF=1.24, (Q3); 11(1), 149-157, March 2023, DOI:10.22036/PCR.2022.334577.2057

56. Mohammad Atiqur Rahman, Mohammed Mahbubul Matin, Ajoy Kumer, Unesco Chakma, Md. Rezaur Rahman, Modified D-glucofuranoses as new black fungus protease inhibitors: Computational screening, docking, dynamics, and QSAR study; Physical Chemistry Research, IF=1.24, (Q3); 10, No. 2, (2022), pp-189-203, DOI: 10.22036/pcr.2021.294078.1934

55. Md. Monsur Alam, Unesco Chakma, Ajoy Kumer*, Md. Shariful Islam, Nusrat Zahan Khandaker, Tomal Hossain, Purak Chakma, Jamal Uddin; Investigation of structural, electronic, and optical properties of CdAg2GeSe4 and HgAg2GeSe4 amazing photocatalyst regarding with ZnAg2GeSe4 and a comparative study by DFT functionals; ECS Transactions, IF=0.64 (Q2), 107 (1), 15375-15385 (2022); DOI:10.1149/10701.15375ecst

54. Fahima Siddikey, Md Abul Hasan Roni, Ajoy Kumer *, Unesco Chakma,Mohammed Mahbubul Matin; Computational Investigation of Betalain Derivatives as Natural Inhibitor Against 3 Food Borne Bacteria; Current Chemistry Letter, IF=0.870 (Q4); 11 (2022), pp-1-12, DOI: 10.5267/j.ccl.2022.3.003

53. Mahbub Alam, Md. Eleas Kobir, Ajoy Kumer*, Unesco Chakma, Parul Akter, Md. Mosharef Hossain Bhuiyan; Anti-bacterial, Anti-fungal and Anti-viral (Omicron variant) activities of Pyrimido[4,5-d]Pyrimidine derivatives through computational approaches: Quantum calculation, Molecular docking, Molecular dynamic, ADMET, QSAR; Organic Communications; IF=0.810 (Q4) (2022); http://doi.org/10.25135/acg.oc.133.2204.2439

52. Md. Eleas Kobir, Asif Ahmed, Md. Abul Hasan Roni, Unesco Chakma, Md. Ruhul Amin, Akhel Chandro, and Ajoy Kumer*; Anti-Lung Cancer Drug Discovery Approaches by Polysaccharides: An In silico Study, Quantum calculation and Molecular dynamics study; Journal of Bio-molecular Structure & Dynamics, IF=5.325 (Q2) 40 (2022); https://doi.org/10.1080/07391102.2022.2110156

51. Jahedul Islam, Ajoy Kumer*; Investigation of Structural, Electronic, and Optical Properties of SrTiO3 and SrTi0.94Ag0.06O3 Quantum Dots Based Semiconductor Using First Principle Approach, Advanced Journal of Chemistry-Section A 5, no. 2: 164-174.  https://doi.org/10.22034/ajca.2022.325958.1300


Publication in 2021; IF=29.51, Q1=2, Q2=5, Q3=4, Q4=4

50. Ashutosh Nath; Ajoy Kumer, Md. Wahab Khan; Synthesis, computational and molecular docking study of some 2, 3-dihydrobenzofuran and its derivatives; Journal of Molecular Structure, (Elsevier), IF=3.81 (Q2), 1224 (2021) 129225; https://doi.org/10.1016/j.molstruc.2020.129225

49. Md. Kausar Ahmed, Ajoy Kumer, Imran, Abu Bin; Facile fabrication of polymer network using click chemistry and their computational study; Royal Society Open Science, IF=3.65, (Q1), 8(2021): 202056; https://doi.org/10.1098/rsos.202056

48. Laila Arifun Nahar; Ajoy Kumer; Md. Wahab Khan; Investigation of catalytic effect on carbon-carbon bond formation by Baylis-Hillman (BH) reaction between (2/3/4)-nitro-arylaldehyde and alkylacrylates and computational approaches through DFT functional; Heliyon (Elsevier & Cell Press); IF=3.92, (Q1); 7,(10), 2021, e08139; https://doi.org/10.1016/j.heliyon.2021.e08139

47. Md Mahmud Hasan, Ajoy Kumer*, Unesco Chakma, Md. Tawhidul Islam; Structural, optical and electronic properties of ZnAg2GeTe4 and ZnAg2Ge0.93Fe0.07Te4 Photocatalyst: A first principle approach" Molecular Simulation, (Taylor and Francis), IF=3.10 (Q2), pp 594-601; 47 (Special issue), (2021); https://doi.org/10.1080/08927022.2020.1868456

46. Ashutosh Nath; Ajoy Kumer, Fahmida Zaben, Md. Wahab Khan; Investigating the binding affinity, molecular dynamics, and ADMET properties of 2,3-Dihydrobenzofuran derivatives as an inhibitor of fungi, bacteria, and virus protein; Beni-Suef University Journal of Basic & Applied Sciences, IF=2.03 (Q3);10:36(2021); (Springer Nature); https://doi.org/10.1186/s43088-021-00117-8

45. S. M. Abe Kawsar and Ajoy Kumer*, Computational investigation of methyl α-d-glucopyranoside derivatives as inhibitor against bacteria, fungi and Covid-19 (SARS-2); Journal of the Chilean Chemical Society, IF=1.360 (Q3); 66(2) (2021), pp-5206-5214; http://dx.doi.org/10.4067/S0717-97072021000205206

44. Mohammad Jahidul Islam, Ajoy Kumer*, Md. Wahab Khan; The theoretical study of anticancer rhodium complexes and methyl groups effect on ligands in chemical reactivity, global descriptors, ADMET by DFT study; Turkish Computational and Theoretical Chemistry; Turkey, (Dergi Park), IF=1.14, (Q3); 5(2); pp-1-13(2021); https://dergipark.org.tr/tr/pub/tcandtc/issue/62723/843770

43. Md. Tawhidul Islam, Ajoy Kumer*, Unesco Chakma, & Debashis Howlader; A computational Investigation of electronic structure and optical properties of AlCuO2 and AlCu0.96Fe0.04O2: A first principle approach; Orbital: The Electronic Journal of Chemistry, IF=0.50, (Q4), 13(1); (2021), pp-58-64; http://dx.doi.org/10.17807/orbital.v13i1.1533

42. M.A.A Shofi Uddin Sarkar, Ashutosh Nath, Ajoy Kumer, Chaity Mallik, Fahima Akter, Md. Moniruzzaman, Md. Ayub Ali; Synthesis, molecular docking screening, ADMET and dynamics studies of synthesized 4-(4-methoxyphenyl)-8-methyl-3,4,5,6,7,8-hexahydroquinazolin-2(1H)-one and quinazolinone derivatives; Journal of Molecular Structure, (Elsevier), IF=3.81 (Q2), (2021), pp-130953; https://doi.org/10.1016/j.molstruc.2021.130953

41. Md. Hazrat Ali, Mohammad Jahidul Islam; Ajoy Kumer*, Md. Sayed Hossain, Unesco Chakma, Debashis Howlader, Md. Tawhidul Islam and Tomal Hossain; Investigation of structural, electronic and optical properties of Na2InAgCl6, K2InAgCl6 and Rb2InAgCl6 lead-free halide double perovskites regarding with Cs2InAgCl6 perovskites cell and a comparative study by DFT functionals, Materials Research, IF=1.54 (Q2); 2021; 24(6): e20210086; DOI: https://doi.org/10.1590/1980-5373-MR-2021-0086

40. Md. Abdullah Al Mamun, Md. Monsur Alam, Ahsan Habib, Unesco Chakma, M.A. Mokit Sikder, Ajoy Kumer*, Structural, electronic, optical properties and molecular dynamic study of WO3, W0.97Ag0.03O3 and W0.94Ag0.06O3 photocatalyst by first principle of DFT study; Egyptian Journal of Chemistry; IF=1.530 (Q3); 64(9) (2021), pp. 5117-5126 (2021), DOI: 10.21608/EJCHEM.2021.66630.3433

39. Tomal Hossain, Md. Sayed Hossain, Md. Hazrat Ali, Unesco Chakma, Ajoy Kumer*, Mohammad Jahidul Islam; Investigation of optoelectronics, thermoelectric, structural and Photovoltaic Properties of CH3NH3SnBr3 lead free organic perovskites; Chemical Methodologies; IF=0.24 (Q4),  2021, 5(3), 259-270; WOS indexed; DOI: 10.22034/CHEMM.2021.130180

38. Mohammad Jahidul Islam, Md. Nuruzzaman Sarker, Ajoy Kumer*, Sunanda Paul; The evaluation and comparison of thermo-physical, chemical and biological properties of palladium (II) complexes on binuclear diamine ligands with different anions using the DFT method; International journal of Advanced Biological and Biomedical Research; IF-0.29, ISC(Q4), 7(4)2021 pp. 318-337, DOI:10.33945/SAMI/IJABBR.2019.4.3

37. Md. Hazrat Ali, Mohammad Jahidul Islam, Mostofa Rafid, Razbi Ahmed, Md. Rakib Rayhan Jeetu, Rinkan Roy, Ajoy Kumer*, Unesco Chakma; The computational screening of structural, electronic, and optical properties for SiC, Si0.94Sn0.06C, and Si0.88Sn0.12C lead-free photovoltaic inverters using DFT functional of First principle approach; Eurasian Chemical Communications, IF=0.12, (Q4); Volume 3, Issue 5, 2021, pp- 327-338, WOS and Scopus indexed; DOI: 10.22034/ECC.2021.278690.1154

36. Debashis Howlader, Md. Sayed Hossain, Unesco Chakma, Ajoy Kumer*, Mohammad Jahidul Islam, Tawhidul Islam, Tomal Hossain; Structural geometry, optoelectronic structure, thermo-electronic and optical properties of GaCuO2 and GaCu0.94Fe0.06O2: A first principle approach of DFT functionals; Molecular Simulation; (Taylor and Francis), IF=3.10 (Q2), 47(17) (2021), Pages 1411-1422; https://doi.org/10.1080/08927022.2021.1977295

Publication in 2020, IF=6.76, Q2=1, Q3=2, Q4=2


35. Mohammad Jahidul Islam; and Ajoy Kumer*; First-principles study of structural, electronic and optical properties of AgSbO3 and AgSb0.78Se0.22O3 photocatalyst; SN Applied Sciences, (Springer Nature), IF=2.11(Q3); (2020) 2:251, https://doi.org/10.1007/s42452-020-2058-z

34. Md. Tawhidul Islam, Ajoy Kumer*, Unesco Chakma, Debashis Howlader, Kamal Bikash Chakma; Electronics structure and optical properties of Mg(BiO2)4 and Mg (Bi0.91Ge0.083O2)4: A first principle approach, Turkish Computational and Theoretical Chemistry, Turkey, (Dergi Park), IF=1.14, (Q3); 4(1), (2020), pp 24-31, https://doi.org/10.33435/tcandtc.674902

33. Ajoy Kumer*, Mohammad Jahidul Islam, Md. Wahab Khan; (2020), A computational estimation for alkyl chain effect in Schiff base pyridinium fluoride ionic liquid on chemical reactivity, thermophysical properties, pharmacokinetics, and biological activity by DFT approach; International Journal of New Chemistry, DOAJ indexed, DOI: 0.22034/IJNC.2020.116920.1065

32. Unesco Chakma, Ajoy Kumer*, Kamal Bikash Chakma, Md. Tawhidul Islam, Debashis Howlader; Electronics structure and optical properties of SrPbO3 and SrPb0.94Fe0.06O3: A first principle approach; Eurasian Chemical Communication, IF-0.12, (Q4); 2 (5), (2020) pp 573-580, DOI:10.33945/SAMI/ECC.2020.5.2

31. Unesco Chakma, Ajoy Kumer*, Kamal Bikash Chakma, Md. Tawhidul Islam, Debashis Howlader; (2020), Electronics structure and optical properties of Ag2BiO3 and (Ag2)0.88Fe0.12BiO3: A first principle approach, Advanced Journal of Chemistry-Section A, ISI indexed, 3(4), 542–550. DOI: 10.33945/SAMI/AJCA.2020.4.15 

30. Kamal Bikash Chakma, Ajoy Kumer*, Unesco Chakma, Debashis Howlader, Md. Tawhidul Islam; (2020), A theoretical investigation for electronics structure of Mg(BiO2)2 semiconductor using first principle approach; International Journal of New Chemistry, DOAJ indexed, DOI:10.22034/IJNC.2020.118533.1074

29. Mohammad Mazharol Hoque, Ajoy Kumer, Sojib Hossein, Md Wahab Khan; Theoretical evaluation of 5, 6-Diaroyl Isoindoline-1, 3-Dione as Potential Carcinogenic kinase PAK1 Inhibitor: DFT Calculation, Molecular Docking Study and ADMET Predication, International Journal of Advanced Biological and Biomedical Research, IF=0.29, ISC(Q4), 9(1), (2020), pp. 77-104, DOI: 10.22034/ijabbr.2020.45696

28. Mohammad mazharol Hoque, Sojib Hossein, Ajoy Kumer, Md Wahab Khan; Synthesis of 5, 6-Diaroylisoindoline-1, 3-Dione and computational approaches for investigation on structural and mechanistic insights by DFT", Molecular Simulation, (Taylor and Francis), IF=3.10 (Q2), 46(16), (2020), pp-1298-1307; https://doi.org/10.1080/08927022.2020.1811866

27. Md Mahmud Hasan, Ajoy Kumer*, Unesco Chakma; (2020), Theoretical investigation of doping effect of Fe for SnWO4 in electronic Structure and optical properties: DFT based First Principle study; Advanced Journal of Chemistry-Section A, ISI indexed, 3(5), pp 639-644, http://dx.doi.org/10.33945/SAMI/AJCA.2020.5.8


Publication in 2019; IF=0.82, Q4=3


26. Ajoy Kumer*, Sunanda Paul, Md. Nuruzzaman Sarker, Mohammad Jahidul Islam; (2019), The prediction of thermo physical, vibrational spectroscopy, chemical reactivity, biological properties of morpholinium borate, phosphate, chloride and bromide Ionic Liquid: A DFT Study; International Journal of New Chemistry; DOAJ indexed; 6(5), pp 236-253; DOI:10.22034/IJNC.2019.110412.1053


25. Ajoy Kumer*, Md. Nuruzzaman Sarkar, Sunanda Pual; (2019), The Simulating Study of HOMO, LUMO, thermo physical and Quantitative Structure of Activity Relationship (QSAR) of Some Anticancer Active Ionic Liquids; Eurasian Journal of Environmental Research, Turkey (Dergi Park),  DOAJ indexed; 3(1),  pp-1-10;  https://dergipark.org.tr/download/article-file/722489


24. Ajoy Kumer*, Md. Nuruzzaman Sarker, Sunanda Paul, Afroza Zannat; (2019), The Theoretical Prediction of Thermophysical properties, HOMO, LUMO, QSAR and Biological Indics of Cannabinoids (CBD) and Tetrahhdrocannabinol (THC) by Computational Chemistry, Advanced Journal of Chemistry, Scopus, ISC (Q1, IF=1.091),, 2(3): 190-202. DOI:10.33945/SAMI/AJCA.2019.2.190202


23. Ajoy Kumer*, Md. Nuruzzaman Sarker, Sunanda Paul; (2019), The theoretical investigation of HOMO, LUMO, thermo physical properties and QSAR study of some aromatic carboxylic acids using Hyper Chem programming, International Journal of Chemistry and Technology, Turkey (Dergi Park), ISI indexed ; 3 (1), 26-37, DOI:10.32571/ijct.478179


22. Mohammad Jahidul Islam, Ajoy Kumer*, Sunanda Paul, Md. Nuruzzaman Sarker; (2019), The activity of alkyl groups in morpholinium cation on chemical reactivity, and biological properties of morpholiniumtetrafluroborate Ionic Liquid using the DFT method, Chemical Methodologies; IF=0.24 (Q4),   WOS indexed; 4 (2), pp. 115-219, 130-14; DOI:10.33945/SAMI/CHEMM.2020.2.3


21. Mohammad Jahidul Islam; Ajoy Kumer*, Nuruzzaman Sarker; Sunanda Paul; Afroza Zannat; (2019), The prediction and theoretical study for chemical reactivity, thermo physical and biological activity of morpholinium nitrate and nitrite ionic liquid crystals: A DFT study; Advanced Journal of Chemistry, Scopus, ISC (Q1, IF=1.091); 2(4), pp-  316-326; DOI:10.33945/SAMI/AJCA.2019.4.5


20. Mohammad Jahidul Islam, Md. Nuruzzaman Sarker, Ajoy Kumer*, Sunanda Paul; (2019), The evaluation and comparison of thermo-physical, chemical and biological properties of palladium (II) complexes on binuclear diamine ligands with different anions using the DFT method; International journal of Advanced Biological and Biomedical Research; IF-0.29, ISC(Q4), 7(4) pp. 318-337, DOI:10.33945/SAMI/IJABBR.2019.4.3


19. Md. Nuruzzaman Sarker, Ajoy Kumer*, Mohammad Jahidul Islam, Sunanda Paul; (2019), A Computational Study of Thermophysical, HOMO, LUMO, Vibrational Spectrum and UV-visible Spectrum of Cannabicyclol (CBL), and Cannabigerol (CBG) using DFT; Asian Journal of Nanoscience and Materials, 2(4); pp. 439-447. DOI: 10.26655/AJNANOMAT.2019.4.8


18. Panta Roy, Ashik Ahmed, Ajoy Kumer*; (2019), An overview of hygiene practices and health risks related to street foods and drinking water from roadside restaurants of Khulna city of Bangladesh, Eurasian Journal of Environmental Research, Turkey (Dergi Park), DOAJ indexed; 3(2), pp- 47-55, https://dergipark.org.tr/en/pub/ejere/issue/49620/590483


17. Mohammad Jahidul Islam, Md. Nuruzzaman Sarker, Ajoy Kumer*, Sunanda Paul; (2019), The comparison of primary, secondary and tertiary amine ligands on palladium (II) complex ion on thermo-physical, chemical reactivity, and biological properties: A DFT study, Cumhuriyet Science Journal, WOS & DOAJ indexed; 40(4), pp- 679 – 694, DOI: https://dergipark.org.tr/en/pub/csj/issue/49143/549426

16. Mohammad Jahidul Islam; Sunanda Paul, Ajoy Kumer*, Md. Nuruzzaman Sarker; (2019); Computational approach of palladium (II) complex ions with binuclear diamine ligands thermo-physical, chemical, and biological properties: a dft study; Asian Journal of Nanosciences and Materials, 3(1), pp-67 -81, DOI:10.26655/AJNANOMAT.2020.1.7


15. Sunanda Paul, Ajoy Kumer*, Md. Nuruzzaman Sarker, Mohammad Jahidul Islam; (2019); The effect of halogen atoms at propanoate anion on thermo physical, vibrational spectroscopy, chemical reactivity, biological properties of morpholinium propionate Ionic Liquid; International Journal of Advanced Biological and Biomedical Research; IF=0.29, ISC(Q4), 8 (2), pp- 112-127,

http://dx.doi.org/10.33945/SAMI/IJABBR.2020.2.2


14. Afroza Zannat, Ajoy Kumer*, Md. Nuruzzaman Sarker, Sunanda Paul; (2019) The substituent group activity in the anion of cholinium carboxylate ionic liquids on thermo-physical, chemical reactivity, and biological properties: A DFT study; International Journal of Chemistry and Technology; Turkey (Dergi Park), ISI indexed, 3 (2), 151-161. https://doi.org/10.32571/ijct.648409

Publication in 2018; IF=0.83, Q3=1


13. Boshir Ahmed, Ajoy Kumer, Muhammad Nazrul Islam, Tajmeri S. A. Islam; The Photochemical Degradation (PCD) of Nitrobenzene (NB) using UV Light and Fenton Reagent under Various Conditions; The Journal of Turkish Chemical Society, Turkey, (Dergi Park), IF=0.83, SJR-0.179 (Q3) 5(2), (2018), pp- 803 – 818, DOI:10.18596/jotcsa.364152

12. Hossain, M. I., Ajoy Kumer*; and Sayeda Halima Begum; (2018), Synthesis and characterization of ammonium benzoate and its derivative based ionic liquids and their antimicrobial studies; Asian journal of physical and chemical science, 5(1), pp 1-9, DOI:10.9734/AJOPACS/2018/39148

11. M. Ismail Hossain, Md. Mosharef H. Bhuiyan, Ajoy Kumer; (2018), A Study of antimicrobial activities of Pyrido [2,3-d:6,5-d/]dipyrimidines with Synthesis; Asian journal of physical and chemical science, 5(3), pp 1-9; DOI:10.9734/AJOPACS/2018/39709

10. Mohammad Ismail, Md. Ruhul Amin Foisal, Ajoy Kumer*, Omma Taslima Nasrin, Muhammad Zakarul Islam; (2018), Physical and mechanical characterization of jute fiber reinforced unsaturated polyester resin (UPR) composites, Chemical Science International Journal, 22(1), pp1-14, DOI:10.9734/CSJI/2018/40021

9. Md Ruhul Amin Foisal, Ajoy Kumer*, Umma Taslima Nasrin, Mohammad Ismail, and Mohammad Saiful Alam; (2018), The study of chemical, mechanical, thermal, and morphological properties of poly lactic acid-nano hydroxyapatite composite scaffold; Chemical Science International Journal, 22(3), pp-1-12. DOI:10.9734/CSJI/2018/41184

8. Md. Arfat sharif, Ajoy Kumer*, Md Boshir Ahmed, Sunanda Paul; (2018), Chitosan is a new target of chemical replacement to formalin in food preservative; International Journal of Chemical Studies, 6(1): pp757-760 


7. Ajoy Kumer*, Md. Arfat sharif, Md. Boshir Ahmed, Sunanda Paul, (2018), A review of Chitosans (CS) and its application in chemical industries, agriculture, textiles industries and pharmaceutical industries, Multridiciplinary journal of European University of Bangladesh, 2(1), pp-25-32.

Publication in 2017

6. Ajoy Kumer*, Boshir Ahmed, Md Arfat sharif and Abdullah al-mamun; (2017), A theoretical study of aniline and nitrobenzene by computational overview, Asian journal of physical and chemical science, 4(2), pp 1-12, DOI:10.9734/AJOPACS/2017/38092; Read

5. Hossain, M. I., Ajoy Kumer*; (2017), Synthesis and characterization of ammonium benzilate bioactive ionic liquids and their antimicrobial activity, Asian journal of physical and chemical science, 4(4): pp 1-13, DOI:10.9734/AJOPACS/2017/38386; Read 

4. Hossain, M. I., Ajoy Kumer*; (2017), Synthesis and characterization of ammonium ionic liquids and their antimicrobial and computational overview, Asian journal of chemical science, 3(4), pp 1-10, DOI: 10.9734/AJOCS/2017/38877 

3. Arfat sharif, Ajoy Kumer, Md. Anamul and Haque, Priti Sarker; (2017), Surface Modification of Silk Fiber with Chitosan and studies of dyeing enhance ability with antimicrobial properties, International Journal of Advanced Research in Science, Engineering and Technology, 4(10), pp-4776-4784. Published Research Articles in 2016

 

Publication in 2015 and 2016


2. Md Ruhul Amin Foisal, Ajoy Kumer, M. A. Gafur, Mohammad Saiful Alam and M. R. Qadir; (2016), Fabrication and characterization of synthesized nano hydroxyapatite/poly lactic acid scaffold using freeze drying in situ hybrid suspension. 1st International Conference on Engineering Materials and Metallurgical Engineering (ICEMME); Bangladesh Council of Scientific and Industrial Research (BCSIR) Dhaka,
 Bangladesh; C-125.