Dr. Pooja Sharma | Computational Chemistry | Research Excellence Award
Assistant Professor | Chandigarh University | India
Dr. Pooja Sharma is a dedicated researcher whose work in Computational Chemistry consistently advances the understanding of material behaviour for sustainable energy technologies. Her contributions in Computational Chemistry focus on theoretical investigations of perovskite materials, optoelectronic properties, and structural modelling for improved solar-energy systems. Through extensive publications in high-quality journals, she demonstrates strong proficiency in Computational Chemistry, integrating density functional theory, conceptual modelling, and simulation-driven interpretation of electronic structures. Her expertise in Computational Chemistry has supported multidisciplinary collaborations with research groups working on photovoltaics, molecular modelling, and material innovation. She applies Computational Chemistry to explore environmentally relevant materials, contributing to societal progress by enabling cleaner and more efficient technologies. Her sustained involvement in collaborative projects and workshops highlights her commitment to advancing Computational Chemistry as a tool for scientific development, while her academic contributions reflect a deep understanding of the broader impact of material research. As a leading voice in Computational Chemistry, she continues to enhance knowledge exchange across academia, fostering innovation in sustainable energy applications. Her research orientation, grounded in Computational Chemistry, reinforces her role as a scholar with meaningful influence. Google Scholar Profile Of Citations 104, h-index 5, i10-index 4.
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Featured Publications
Study of Tl-based perovskite materials TlZX3 (Z = Ge, Sn, Be, Sr; X = Cl, Br, I) for application in scintillators: DFT and TD-DFT approach
Chemical Physics Impact, 2023 •
Cited by 25
DFT and TD-DFT studies of perovskite materials LiAX3 (A = Ge, Sn; X = F, Cl, Br, I) in reference to their solar cell applications
Materials Today Sustainability, 2024 •
Cited by 21
Applications of conceptual density functional theory in reference to quantitative structure–activity/property relationship
Molecular Physics, 2024 •
Cited by 21
Electronic and optical properties of lead-free double perovskites A₂BCl₆ (A = Rb, Cs; B = Si, Ge, Sn) for solar cell applications: A systematic computational study
Journal of Physical Organic Chemistry, 2023 •
Cited by 20
A computational study of double perovskites A₂BI₆ (A = Cs, K, Rb; B = Pt, Sn) invoking density functional theory
Journal of Physical Organic Chemistry, 2023 •
Cited by 8