Publications

Journal Publication(s):

Postdoc (University of Nevada, Reno):

1. Bose, P., Leitner, D.M., "Identifying structural and dynamic features of proteins for machine learning models that predict rates of energy transfer." Journal of Chemical Physics, 2026, 164(13), 135101 https://doi.org/10.1063/5.0325036

Graduate school (Rensselaer Polytechnic Institute):

1. Bose, P., Koratkar N., and Shi Y., "Simultaneous Improvement in the Elastic and Fracture Properties of Graphene-Epoxy Nanocomposites ̶ a Computational Perspective." Carbon, 2024, 229, 119455. https://doi.org/10.1016/j.carbon.2024.119455

2. Jiang J., Zhang L., Ming C., Zhou H., Bose P., Guo Y., Hu Y., Wang B., Chen Z., Jia R., Pendse S., Xiang Y., Xia Y., Lu Z., Wen X., Cai Y., Sun C., Wang G-C, Lu T-M, Gall D., Sun Y-Y, Koratkar N., Fohtung E., Shi Y., Shi J., Giant Pyroelectricity in Nanomembranes, Nature, 2022, 607, 480–485. https://doi.org/10.1038/s41586-022-04850-7

3. Fazel, K., Clary, J., Bose, P., Brown, S., Sundararaman, R., & Vigil-Fowler, D. (2025). Development and application of $\Delta $-machine-learned interatomic potentials to platinum-Nafion interfaces. arXiv preprint arXiv:2505.01963. https://arxiv.org/abs/2505.01963

4. Bose, P., Luan, B., Koratkar N., Elmegreen, BG., and Shi Y., "Charged Sorbents for Efficient Carbon Capture-a Computational Study." (Manuscript in preparation)

5. Bose, P., Koratkar N., and Shi Y., "Exploring the Design Spaces to Improve the Mechanical Properties of Graphene-Epoxy Nanocomposites." (Manuscript in preparation)

Undergrad school collaborations (Bangladesh University of Engineering and Technology):

1. Touki H.D., Ahmed N.U., Mohammad Motalab M∗ , & Bose, P. (2025)., "Atomistic investigations of mechanical properties and degradation rates of polycaprolactone blends with polylactic acid and polyglycolic acid", Materials Research Express, 12(8), 085307. https://doi.org/10.1088/2053-1591/adfad5

2. Mitra, S., Rahman, M. H., Motalab, M., Rakib, T., & Bose, P. (2021). Tuning the mechanical properties of functionally graded nickel and aluminium alloy at the nanoscale. RSC advances, 11(49), 30705-30718. https://doi.org/10.1039/D1RA04571G

3. Rahman, M. H., Islam, M. S., Islam, M. S., Chowdhury, E. H., Bose, P., Jayan, R., & Islam, M. M. (2021). Phonon thermal conductivity of the stanene/hBN van der Waals heterostructure. Physical Chemistry Chemical Physics. 23(18), 11028-11038. https://doi.org/10.1039/D1CP00343G

4. Akash, T. A., Subad, R. A., Bose, P. &  Islam, M. M. (2020). Nanomechanics of Antimonene Allotropes under Tensile Loading. Physical Chemistry Chemical Physics. 23(10), 6241-6251 https://doi.org/10.1039/D0CP05563H

5. Chowdhury, E. H., Rahman, M. H., Bose, P., Jayan, R. & Islam, M. (2020) Atomic-Scale Analysis of Physical Strength and Phonon Transport Mechanisms of Monolayer ß-Bismuthene. Physical Chemistry Chemical Physics, doi: 10.1039/D0CP04785F

6. Zamil, M. F., Akash, T. A., Subad, R. A. & Bose, P. (2020) Intrinsic Mechanical Properties of Monolayer Nickel Ditelluride: An Atomistic Study. Computational Condensed Matter 26 (2021): e00522. https://doi.org/10.1016/j.cocom.2020.e00522

7. Rahman, M. H., Mitra, S., Motalab, M., & Bose, P. (2020). Investigation on the mechanical properties and fracture phenomenon of silicon doped graphene by molecular dynamics simulation. RSC Advances, 10(52), 31318-31332. https://doi.org/10.1039/d0ra06085b  

6. Subad, R. A. S. I., Akash, T. S., Bose, P., Islam, M. (2020) Engineered defects to modulate fracture strength of single layer MoS2: An atomistic study, Physica B: Condensed Matter, 2020, 412219, ISSN 0921-4526, https://doi.org/10.1016/j.physb.2020.412219. 

7. Arshee, M. R., Adnan, S., Motalab, M., & Bose, P. (2019). Inherent mechanical properties of bilayer germanene coupled by covalent bonding. RSC Advances, 9(59), 34437-34450. https://doi.org/10.1039/C9RA06003K 

Conference Publications:

1. Motalab, M., Jamil, M. F., Jony, M. S. A. M., Bose, P. & Suhling, J. C., Insights into the Mechanical Properties of SnAgCu Based Solder Materials Including Void Effect: an Atomistic Study.(2021) IEEE Intersociety Conference on Thermal and Thermomechanical Phenomena in Electronic Systems. 

2. Motalab, M., Subad, R. A., Ahmed, A., Bose, P., Paul, R., & Suhling, J. C. (2019, November). Atomistic Investigation on Mechanical Properties of Sn-Ag-Cu Based Nanocrystalline Solder Material. In ASME International Mechanical Engineering Congress and Exposition (Vol. 59490, p. V012T10A035). American Society of Mechanical Engineers. 

3. Thakur, M. S. H., Islam, M., Monisha, N. J., Bose, P., Mahathir M. A. M., Pial T. H., Atomistic Modeling of Functionally Graded Cu-Ni Alloy and its Implication on the Mechanical Properties of Nanowires, ICME 2019

4. Nahian, M. S., Motalab, M., Bose, P., Nahian, S. M., Mechanical Anisotropy and Tension-Compression Asymmetry of Au Coated Si Nanowafer: an Atomistic Approach, ICME 2019

5. Jui, T. A., Bose, P., Rakib, T., Mojumder, S., & Motalab, M. (2018, July). Shear based analysis of nickel nano-plate by molecular dynamics simulations. In AIP Conference Proceedings (Vol. 1980, No. 1, p. 030025). AIP Publishing. 

6. Pial, T. H., Rakib, T., Bose, P., Mojumder, S., & Motalab, M. (2018, July). Temperature and size effect on the mechanical properties of indium phosphide nanowire: An atomistic study. In AIP Conference Proceedings (Vol. 1980, No. 1, p. 030023). AIP Publishing. 

7. Bose, P., Halder, D., Rahman, O. & Pial, T. H., Effectivity of Super Resolution Convolutional Neural Network for the Enhancement of Land Cover Classification from Medium Resolution Satellite Images. (Accepted for presentation in 17th Asian Conference on Remote Sensing, India)

8. Bose, P., Rakib, T., Das, S., Rabbi, K. M., & Mojumder, S. (2017, June). MHD mixed convection analysis of non-Newtonian power law fluid in an open channel with round cavity. In AIP Conference Proceedings (Vol. 1851, No. 1, p. 020057). AIP Publishing.