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Pages
Posts
Advancements in Battery Materials: A Computational Perspective
Published:
In recent years, the quest for efficient, sustainable, and high-performance batteries has intensified, driven by the global shift towards renewable energy sources and the escalating demand for electric vehicles (EVs). The role of computational material science in this pursuit cannot be overstated. This field merges theoretical chemistry, physics, and advanced computational techniques to predict and improve the properties of materials used in batteries. This blog post explores significant advancements in battery materials from a computational perspective, highlighting how these innovations pave the way for the future of energy storage.
portfolio
PhD Defense
This photo was taken during my PhD defense at the Institute of Research on Ceramics (IRCER). I was engaged in answering questions posed by the examiner. 
Nantes conference
Société Chimique de France, Nantes (France) 
publications
A Buckingham interatomic potential for thallium oxide (Tl2O): Application to the case of thallium tellurite glasses
Published in Computational Materials Science, 2022
Recommended citation: Raghvender, Raghvender, et. al. (2022). "A Buckingham interatomic potential for thallium oxide (Tl2O): Application to the case of thallium tellurite glasses. 201, 110891." Computational Materials Science 1. 1(1). https://www.sciencedirect.com/science/article/abs/pii/S0927025621005991
Structure of amorphous TeO2 revisited: A hybrid functional ab initio molecular dynamics study
Published in PHYSICAL REVIEW B, 2022
Recommended citation: Raghvender, Raghvender et. al. (2022). "Structure of amorphous TeO2 revisited: A hybrid functional ab initio molecular dynamics study, (106) 174201." Phys. Rev. B. https://journals.aps.org/prb/abstract/10.1103/PhysRevB.106.174201
Ab-Initio Study of the Raman Spectra of Amorphous Oxides: Insights into the Boson Peak Nature in Glassy TeO2
Published in physica status solidi (RRL) – Rapid Research Letters, 2023
Recommended citation: E. M., Roginskii et. al. (2023). "Ab-Initio Study of the Raman Spectra of Amorphous Oxides: Insights into the Boson Peak Nature in Glassy TeO2 (17) 4 2200505 ." physica status solidi (RRL) – Rapid Research Letters. https://onlinelibrary.wiley.com/doi/abs/10.1002/pssr.202200505
talks
A Buckingham interatomic potential for thallium oxide (Tl+-O2−); application to the case of thallium tellurite glasses
Published:
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Atomic-scale modelling of tellurium oxide glass: network topology and third-order non-linear properties
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Ab-Initio study of the structural and electronic properties of TeO2 glass and melt
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teaching
Teaching experience 1
Undergraduate course, University 1, Department, 2014
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Teaching experience 2
Workshop, University 1, Department, 2015
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