Md Abdus Sabuj

Mississippi State University — United States

Chemistry · Physical Sciences

9h-index456citations16works15.32yr avg
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Research Topics

Synthesis and Properties of Aromatic Compounds(6), Organic Electronics and Photovoltaics(4), TiO2 Photocatalysis and Solar Cells(3), Advanced Photocatalysis Techniques(3), Magnetism in coordination complexes(3)

Publications16 total

Predicting electronic properties of <i>π</i>-conjugated organic polymers using machine learning for optoelectronic applications
Machine Learning Engineering·2025Open Access
Regulation of quantum spin conversions in a single molecular radical
Nature Nanotechnology·2024· 45 cited
Elucidating the structure of donor–acceptor conjugated polymer aggregates in liquid solution
Soft Matter·2024· 1 cited
Designing molecules with a high-spin (quintet,<i>S</i>= 2) ground state for magnetic and spintronic applications
Molecular Systems Design & Engineering·2023· 4 cited
Understanding speciation and solvation of glyphosate from first principles simulations
Journal of Molecular Liquids·2022· 7 cited
Non-Aufbau orbital ordering and spin density modulation in high-spin donor–acceptor conjugated polymers
Physical Chemistry Chemical Physics·2022· 7 cited
Evolution of the electronic structure in open-shell donor-acceptor organic semiconductors
Nature Communications·2021· 122 citedOpen Access
Probing Interfacial Halogen-Bonding Effects with Halogenated Organic Dyes and a Lewis Base-Decorated Transition Metal-Based Redox Shuttle at a Metal Oxide Interface in Dye-Sensitized Solar Cells
The Journal of Physical Chemistry C·2021· 14 cited
Benzobisthiadiazole-based high-spin donor–acceptor conjugated polymers with localized spin distribution
Materials Advances·2021· 16 citedOpen Access
Donor-Acceptor Conjugated Macrocycles with Polyradical Character and Global Aromaticity
iScience·2020· 9 citedOpen Access
Open-shell donor–π–acceptor conjugated metal-free dyes for dye-sensitized solar cells
Molecular Systems Design & Engineering·2020· 12 cited
Designing Donor-Acceptor Conjugated Macrocycles with Polyradical Character and Global (Anti)Aromaticity
SSRN Electronic Journal·2020· 1 citedOpen Access
Wide Potential Window Supercapacitors Using Open‐Shell Donor–Acceptor Conjugated Polymers with Stable N‐Doped States
Advanced Energy Materials·2019· 81 cited
A high-spin ground-state donor-acceptor conjugated polymer
Science Advances·2019· 120 citedOpen Access
Iodine binding with thiophene and furan based dyes for DSCs
Physical Chemistry Chemical Physics·2018· 17 cited
Predicting Viscosity of Complex Lubricant Molecules with Ester Functional Groups using Nonequilibrium Molecular Dynamics Simulations.
Bulletin of the American Physical Society·2017

Frequent Co-authors

Neeraj Rai(16), Md Masrul Huda(8), Chinmoy Saha(4), Zhongxin Chen(2), Yuan Li(2), Weiya Zhu(2), Chandra Shekar Sarap(2), Fei Huang(2), Naresh Eedugurala(2), Xiaodan Gu(2), Jason D. Azoulay(2), Alexandra Baumann(2), Hammad Cheema(2), Yanbing Zhang(2), Nathan I. Hammer(2), Jared H. Delcamp(2), Wenqiang Li(1), Miao Zeng(1), Xianfeng Qiao(1), Xiaobin Peng(1)