Deen Dayal Upadhyaya Gorakhpur University | India
Harshita Srivastava is an accomplished Ph.D. researcher currently pursuing her doctoral studies on Computational Studies of Novel Superalkali Clusters at D.D.U.G.U Gorakhpur. With a robust academic background in Physics and Mathematics, Harshita has made significant strides in computational chemistry and material science, focusing on superalkali clusters and their applications in areas like energy storage, drug design, and carbon dioxide activation.
Profile
Scopus
Early Academic Pursuits 🎓
Harshita’s academic journey began in the Science Group at the CBSE Board, where she graduated from high school in 2012 and later completed her Intermediate studies in Mathematics in 2014. She earned her B.Sc. in Physics and Mathematics from D.D.U.G.U Gorakhpur in 2017, followed by a Master’s degree in Physics in 2019. Her keen interest in computational studies led her to pursue Ph.D. research at the same institution, where she continues to delve into the world of superalkali clusters.
Professional Endeavors 🔬
Throughout her career, Harshita has demonstrated a commitment to advancing scientific knowledge and contributing to the field of computational chemistry. Her research experience spans a wide array of topics, from superalkalis to the inhibition of SARS-CoV-2, highlighting her ability to apply computational methods to a diverse range of scientific challenges. Her work in understanding the electronic structures of clusters and exploring new materials for applications in energy storage and drug design has established her as an emerging expert in her field.
Contributions and Research Focus 🔍
Harshita’s research is centered around the study of superalkali clusters and their chemical properties, which has implications for a variety of applications. She has contributed to significant publications in top-tier journals like Frontiers in Physics, Chemical Physics Letters, and Journal of the Indian Chemical Society. Her work also extends to material science, specifically studying molecular dynamics, quantum chemistry, and their potential applications in sustainable development. By investigating the interaction of molecules with superalkalis, Harshita has helped to enhance our understanding of nonlinear optical responses, hydrogen storage, and energy-efficient materials.
Impact and Influence 🌍
Harshita’s research is influencing the scientific community, particularly in the realms of superalkalis and nanomaterials. Her work has applications in carbon dioxide activation, hydrogen storage, and the design of strong bases and superbases, which could significantly contribute to addressing global energy and environmental challenges. Additionally, her book chapter contributions on superalkalis, which were published by Taylor & Francis/CRC Press, further demonstrate her scientific influence and commitment to advancing knowledge in her field.
Research Skills 🔧
Harshita possesses advanced research skills, particularly in computational modeling, ab initio studies, and quantum chemical simulations. She is proficient in using a variety of simulation tools such as the Amsterdam Modelling Suite and has experience in docking studies and molecular dynamics simulations. These skills have enabled her to tackle complex scientific problems and make meaningful contributions to the study of novel materials and superalkali chemistry. Her expertise in data analysis and theoretical modeling also positions her as a leader in her research area.
Awards and Honors 🏆
While Harshita is still in the early stages of her career, she has already received significant recognition for her work. Her participation and presentation at conferences such as the International Conference on Nanotechnology and Materials for Energy & Sustainable Development have been well-received. She has also been acknowledged for her contributions to research with certificates and awards from renowned institutions, showcasing her growing reputation in the scientific world.
Legacy and Future Contributions 🔮
Harshita Srivastava’s future in research is bright. With her ongoing work in computational chemistry and superalkali clusters, she is poised to make even more significant contributions to material science, nanotechnology, and sustainability. As she continues to expand her research portfolio, Harshita has the potential to leave a lasting legacy in the scientific community, driving innovations in clean energy, drug design, and environmental solutions. Her work has already laid the foundation for future breakthroughs, and her career is one to watch closely as she continues to push the boundaries of scientific understanding.
Publications Top Notes
BH6+: Revisiting borohydride cation with negatively charged boron and its possible implications for hydrogen storage
- Authors: Srivastava, A.K., Das, P., Srivastava, H., Chattaraj, P.K.
Journal: Chemical Physics, 2024
Interaction of N2, O2 and H2 Molecules with Superalkalis
- Authors: Srivastava, H., Kumar Srivastava, A., Misra, N.
Journal: ChemistryOpen, 2024
Engineering novel alkalides with superalkali clusters: Ab initio insights into nonlinear optical responses
- Authors: Srivastava, H., Srivastava, A.K.
Journal: Molecular Simulation, 2024
Superalkalis in the Design of Strong Bases and Superbases
- Authors: Srivastava, H., Srivastava, A.K.
Book Title: Superhalogens and Superalkalis: Bonding, Reactivity, Dynamics and Applications, 2024
Effect of Methyl Substitutions on the Ionization Energy of OH3−n(CH3)n+
- Authors: Srivastava, H., Tripathi, J.K., Srivastava, A.K.
Book Title: Springer Proceedings in Materials, 2024