PhD, Homi Bhabha National Institute Mumbai, India
Ms. Priya Yadav is a dedicated PhD scholar in Computational Chemistry at the Homi Bhabha National Institute, Mumbai, under the supervision of Prof. D.K. Maity. Her academic journey began with a BS-MS dual degree in Chemical Sciences from the Indian Institute of Science Education and Research, Mohali, where she graduated in 2019 with a GPA of 8.3. Priya has consistently demonstrated academic excellence, securing a 10.0 CGPA in her secondary school examinations. She has been awarded the prestigious DST-INSPIRE fellowship by the Government of India and achieved a JRF rank of 98 in Chemical Sciences. Her research interests focus on designing ionic and deep eutectic solvents for the extraction of heavy metals from nuclear waste, employing advanced computational techniques such as ab-initio electronic structure calculations and molecular dynamics simulations.
Profile
Google Scholar
Education
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PhD in Computational Chemistry
Homi Bhabha National Institute, Mumbai, India (2021–Present)
Supervisor: Prof. D.K. Maity
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BS-MS Dual Degree in Chemical Sciences
Indian Institute of Science Education and Research, Mohali, India (2014–2019)
GPA: 8.3
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Senior Secondary Examination (Chemistry, Mathematics, Physics)
Tagore Sr. Sec. School, Mahendergarh, India (2014)
GPA: 95.4
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All India Secondary School Examination
Tagore Sr. Sec. School, Mahendergarh, India (2012)
GPA: 10.0
Experience
Ms. Priya Yadav has gained substantial research experience through various internships:
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Intern, Indian Institute of Science Education and Research, Mohali (2016–2018)
Conducted studies on ambient air analysis, focusing on isoprene and monoterpenes emissions from plant species.
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Intern, Indian Institute of Science Education and Research, Mohali (2015–2016)
Engaged in statistical mechanics research under the guidance of Prof. Arvind.
These internships provided her with hands-on experience in environmental analysis and theoretical chemistry, laying a strong foundation for her current research endeavors.
Research Focus
Ms. Priya Yadav’s research is centered on the development of ionic and deep eutectic solvents for the extraction of heavy metals from nuclear waste. She employs advanced computational methods, including ab-initio electronic structure calculations and both ab-initio and classical molecular dynamics simulations, to design and analyze these solvents. Her work aims to address environmental challenges associated with nuclear waste management by creating efficient and sustainable solvent systems.
Publication Top Notes
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“Understanding electrocatalytic mechanisms and ultra-trace uranyl detection with Pd nanoparticles electrodeposited in deep eutectic solvents”
Analyst, 2024, 149, 4464-4476
This study investigates the electrocatalytic mechanisms and ultra-trace detection abilities of uranyl ions using palladium nanoparticles electrodeposited in deep eutectic solvents. The research achieved a limit of detection of 3.4 nM, validated by density functional theory studies and electrochemical measurements.
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“Exploring Structures, Bonding, Energetics and Interactions of Aqua Complexes of Actinide Ions at Various Oxidation States using Density Functional Theory”
Journal of Molecular Graphics and Modelling, 2025
This paper delves into the structural, bonding, and energetic properties of aqua complexes of actinide ions across different oxidation states, utilizing density functional theory for comprehensive analysis.
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“Significant emissions of dimethyl sulfide and monoterpenes by big-leaf mahogany trees: discovery of a missing dimethyl sulfide source to the atmospheric environment”
Atmospheric Chemistry and Physics, 2020, 20, 375-389
This research identifies substantial emissions of dimethyl sulfide and monoterpenes from big-leaf mahogany trees, highlighting a previously unrecognized source of dimethyl sulfide in the atmosphere.
Conclusion
Priya Yadav is a highly talented and dedicated researcher with a remarkable academic trajectory, significant contributions to the field of computational chemistry, and a strong publication record. Her ability to engage with complex problems, her research on deep eutectic solvents, and her leadership in presenting at international conferences make her an excellent candidate for the Best Researcher Award. With further development in collaborative research and interdisciplinary engagement, Priya has the potential to make even greater contributions to both academia and industry.