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Dr. Vadlamudi Prathyusha

Associate Professor, Department of Chemistry, School of Engineering, Amaravati

Qualification: MSc. Ph.D
v_prathyusha@av.amrita.edu
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Google Scholar Profile
Research Interest: Sustainable hydrogen storage materials, Environmental remediation, water treatment and sustainable materials, Computational biosciences, drug design and molecular spectroscopy, Molecular reactivity, conformational chemistry and unusual bonding

Bio Publications FDP / Workshops Research Talks Delivered Invited Talks Awards Conferences
Bio

Dr. V. Prathyusha is an Associate Professor in the Department of Chemistry, School of Engineering, Amrita Vishwa Vidyapeetham, Amaravati Campus.   She holds a Ph.D. in Computational Natural Science (Chemistry) from IIIT Hyderabad and has extensive expertise in computational chemistry, DFT-based molecular modelling, and modern analytical and spectroscopic techniques for the characterization and application of organic molecules and biomaterials. Her research focuses on sustainable hydrogen storage materials, environmental remediation and water treatment, computational biosciences and drug design, molecular spectroscopy, and molecular reactivity and unusual bonding. Her interdisciplinary research contributes to the United Nations Sustainable Development Goals (SDGs), particularly SDG 6 (Clean Water and Sanitation), SDG 7 (Affordable and Clean Energy), SDG 12 (Responsible Consumption and Production), and SDG 13 (Climate Action).   Her work integrates computational modelling, materials chemistry, environmental chemistry, and spectroscopic characterization to develop sustainable solutions for clean energy, water purification, environmental protection, and advanced functional materials. She has published in several peer-reviewed international journals and is actively involved in teaching, research supervision, curriculum development, and interdisciplinary research.

Publications

Journal Article

Year : 2026

Essential amino acids as sustainable hydrogen storage materials

Cite this Research Publication : J.K. Kiran Kumar, V. Prathyusha, Essential amino acids as sustainable hydrogen storage materials, Sustainable Energy Technologies and Assessments, Elsevier BV, 2026, https://doi.org/10.1016/j.seta.2026.105233

Publisher : Elsevier BV

Year : 2025

Electrostatics driven hydrogen adsorption in covalently bound ionic liquids on carbon nanomaterials: New hybrid materials for hydrogen storage

Cite this Research Publication : V. Prathyusha, A. Anuradha, Swapan K. Ghosh, K.R.S. Chandrakumar, Electrostatics driven hydrogen adsorption in covalently bound ionic liquids on carbon nanomaterials: New hybrid materials for hydrogen storage, International Journal of Hydrogen Energy, Elsevier BV, 2025, https://doi.org/10.1016/j.ijhydene.2025.150103

Publisher : Elsevier BV

Year : 2023

A thorough investigation of the adsorption of metal ions in seawater on d-glucose and its analogues: A theoretical study

Cite this Research Publication : K.V.S. Mani Chandrika, Abishek Hariharan, V. Prathyusha, A thorough investigation of the adsorption of metal ions in seawater on d-glucose and its analogues: A theoretical study, Desalination, Elsevier BV, 2023, https://doi.org/10.1016/j.desal.2023.116622

Publisher : Elsevier BV

Year : 2023

Is chitin a promising hydrogen storage material? A thorough quantum mechanical study

Cite this Research Publication : K.V.S. Mani Chandrika, Prathyusha V, Is chitin a promising hydrogen storage material? A thorough quantum mechanical study, International Journal of Hydrogen Energy, Elsevier BV, 2023, https://doi.org/10.1016/j.ijhydene.2023.01.112

Publisher : Elsevier BV

Year : 2023

An in silico molecular docking, ADMET and molecular dynamics simulations studies of azolyl-2H-chroman-4-ones as potential inhibitors against pathogenic fungi and bacteria

Cite this Research Publication : K. V. S. Mani Chandrika, Prathyusha V., An
in silico
molecular docking, ADMET and molecular dynamics simulations studies of azolyl-2H-chroman-4-ones as potential inhibitors against pathogenic fungi and bacteria, Journal of Biomolecular Structure and Dynamics, Informa UK Limited, 2023, https://doi.org/10.1080/07391102.2023.2241102

Publisher : Informa UK Limited

Year : 2022

Experimental and computational investigation of divalent, trivalent, and tetravalent metal ion complexes of polyvinyl alcohol as adsorbents for fluoride remediation

Cite this Research Publication : Sai Kiran Mani, Prathyusha V, Rajni Bhandari, Experimental and computational investigation of divalent, trivalent, and tetravalent metal ion complexes of polyvinyl alcohol as adsorbents for fluoride remediation, Journal of Molecular Structure, Elsevier BV, 2022, https://doi.org/10.1016/j.molstruc.2021.132139

Publisher : Elsevier BV

Year : 2022

Eco-friendly surface modification of oxidized carbon nanotubes with curcumin for simultaneous electrochemical detection of dopamine and serotonin

Cite this Research Publication : Sai Prasad Nayak, V. Prathyusha, J.K. Kiran Kumar, Eco-friendly surface modification of oxidized carbon nanotubes with curcumin for simultaneous electrochemical detection of dopamine and serotonin, Materials Chemistry and Physics, Elsevier BV, 2022, https://doi.org/10.1016/j.matchemphys.2022.126293

Publisher : Elsevier BV

Year : 2022

d-glucose and its analogue, d-glucosamine, as potential hydrogen storage materials: A quantum mechanical study

Cite this Research Publication : K.V.S.Mani Chandrika, V. Prathyusha, d-glucose and its analogue, d-glucosamine, as potential hydrogen storage materials: A quantum mechanical study, International Journal of Hydrogen Energy, Elsevier BV, 2022, https://doi.org/10.1016/j.ijhydene.2022.05.187

Publisher : Elsevier BV

Year : 2021

SERS of Dopamine: Computational and experimental studies

Cite this Research Publication : Abishek Hariharan, Rajasimha Kurnoothala, Sai Kumar Chinthakayala, Krishna Chaitanya Vishnubhatla, Prathyusha Vadlamudi, SERS of Dopamine: Computational and experimental studies, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Elsevier BV, 2021, https://doi.org/10.1016/j.saa.2021.119962

Publisher : Elsevier BV

Year : 2021

SERS of norepinephrine: A computational and experimental study

Cite this Research Publication : Abishek Hariharan, Prathyusha Vadlamudi, SERS of norepinephrine: A computational and experimental study, Materials Today Communications, Elsevier BV, 2021, https://doi.org/10.1016/j.mtcomm.2021.102429

Publisher : Elsevier BV

Year : 2021

Quantum mechanical study on physisorption of dissolved metal ions in seawater using cellulose, chitosan and chitin

Cite this Research Publication : Manichandrika K.V.S, Prathyusha V., Quantum mechanical study on physisorption of dissolved metal ions in seawater using cellulose, chitosan and chitin, International Journal of Biological Macromolecules, Elsevier BV, 2021, https://doi.org/10.1016/j.ijbiomac.2021.06.018

Publisher : Elsevier BV

Year : 2021

SERS of Epinephrine: A computational and experimental study

Cite this Research Publication : Abishek Hariharan, Prathyusha Vadlamudi, SERS of Epinephrine: A computational and experimental study, Journal of Molecular Structure, Elsevier BV, 2021, https://doi.org/10.1016/j.molstruc.2021.131163

Publisher : Elsevier BV

Year : 2020

Transition between [ R ]- and [ S ]-stereoisomers without bond breaking

Cite this Research Publication : Shampa Raghunathan, Komal Yadav, V. C. Rojisha, Tanashree Jaganade, V. Prathyusha, Swetha Bikkina, Upakarasamy Lourderaj, U. Deva Priyakumar, Transition between [
R
]- and [
S
]-stereoisomers without bond breaking, Physical Chemistry Chemical Physics, Royal Society of Chemistry (RSC), 2020, https://doi.org/10.1039/d0cp02918a

Publisher : Royal Society of Chemistry (RSC)

Year : 2013

Synthesis and Reactivity Studies of Dicationic Dihydrogen Complexes Bearing Sulfur‐Donor Ligands: A Combined Experimental and Computational Study

Cite this Research Publication : Thirumanavelan Gandhi, Subramani Rajkumar, V. Prathyusha, U. Deva Priyakumar, Synthesis and Reactivity Studies of Dicationic Dihydrogen Complexes Bearing Sulfur‐Donor Ligands: A Combined Experimental and Computational Study, European Journal of Inorganic Chemistry, Wiley, 2013, https://doi.org/10.1002/ejic.201201022

Publisher : Wiley

Year : 2013

Role of conformational properties on the transannular Diels–Alder reactivity of macrocyclic trienes with varying linker lengths

Cite this Research Publication : V. Prathyusha, U. Deva Priyakumar, Role of conformational properties on the transannular Diels–Alder reactivity of macrocyclic trienes with varying linker lengths, RSC Advances, Royal Society of Chemistry (RSC), 2013, https://doi.org/10.1039/c3ra42045k

Publisher : Royal Society of Chemistry (RSC)

Year : 2013

Solvent‐Induced Helical Assembly and Reversible Chiroptical Switching of Chiral Cyclic‐Dipeptide‐Functionalized Naphthalenediimides

Cite this Research Publication : Shivaprasad Manchineella, V. Prathyusha, U. Deva Priyakumar, T. Govindaraju, Solvent‐Induced Helical Assembly and Reversible Chiroptical Switching of Chiral Cyclic‐Dipeptide‐Functionalized Naphthalenediimides, Chemistry – A European Journal, Wiley, 2013, https://doi.org/10.1002/chem.201303123

Publisher : Wiley

Year : 2012

Transannular Diels–Alder Reactivities of 14-Membered Macrocylic Trienes and Their Relationship with the Conformational Preferences of the Reactants: A Combined Quantum Chemical and Molecular Dynamics Study

Cite this Research Publication : V. Prathyusha, S. Ramakrishna, U. Deva Priyakumar, Transannular Diels–Alder Reactivities of 14-Membered Macrocylic Trienes and Their Relationship with the Conformational Preferences of the Reactants: A Combined Quantum Chemical and Molecular Dynamics Study, The Journal of Organic Chemistry, American Chemical Society (ACS), 2012, https://doi.org/10.1021/jo300812q

Publisher : American Chemical Society (ACS)

FDP / Workshops
  • 2025 – FDP on “Building a Future Ready Academia – Developing Transformative Leaders” Organised by Department of Management and Commerce, Sri Sathya Sai Institute of Higher Learning from February 7 – 24, 2025
  • 2024 – NEP Orientation & Sensitization Programme under Malaviya Mission Teacher Training Programme (MM-TTP) of UGC Organised by Regional Institute of Education, Mysore from March 12 – 20, 2024
  • 2023 – Online short term course (e-STC) on “Advanced Environmental and Energy Techniques” Organised by Department of Chemical Engineering, National Institute of Technology, Hamirpur, Himachal Pradesh from November 20 – 24, 2023.
  • 2022 – FDP on “Computational Chemistry of Materials: Molecules, Solids, Nanoparticles and Biological Acitivity (CCM-2022)” Organised by Centre for Advanced Computational Chemistry Studies, Delhi from October 19 – 25, 2022.
  • 2020 – FDP on “Managing online classes and co-creating MOOCs:2.0” Organised by Teaching Learning Centre, Ramanujan College, University of Delhi from May 18 – June 03, 2020.
  • 2020 – FDP on “Digital Education Tools for Teachers” Organised by Department of Management Studies, University of Madras from June 18 – 20, 2020.
  • 2018 – 21 Day residential training program equivalent to UGC refresher course on “Degree College Teachers Training Program in Chemistry” Organised by Indian Institute of Science, Chellakere campus from November 22 – December 12, 2018
Research Talks Delivered
  • 2026 – Delivered an invited talk at the International conference on “Modelling Chemical and Biological (Re)Activity” held at IIIT Hyderabad from December 11-14, 2026
  • 2016 – Integrated Chemie Conference on Frontiers in Applied Chemistry (ICCON 2016), SSSIHL, Prasanthi Nilayam. “Unusual Bonding in Molecules Containing Planar Tetracoordinate Centers.” Role: Poster presenter
  • 2014 – Indo-German International 21-Day Winter School on “Modeling Chemical and Biological (Re)Activity (MCBR),” IIIT Hyderabad. “Spatiotemporal Effects: Conformation of the Reactant Versus Intramolecular Reactivity.” Role: Poster presenter
  • 2013 – Indo-German International Conference on “Modeling Chemical and Biological (Re)Activity (MCBR),” NIPER Mohali. “An Anti- and Pro- van’t Hoff-Le Bel Moiety: Computational Study of a Phosphonium Ion and Related Compounds.” Role: Poster presenter
  • 2011 – International Conference on “Applied Theory on Molecular Systems (ATOMS-2011),” IICT Hyderabad. “Inherent Conformational Preferences of the Reactants Control Their Transannular Diels-Alder Reactivity.” Role: Poster presenter
  • 2011 – Theoretical Chemistry Symposium, IIT Kanpur. “Computational Studies on the Transannular Diels-Alder Reaction of Macrocyclic Trienes.” Role: Poster presenter
  • 2009 – International Symposium on “Of Molecules and Materials (A Survey of Recent Concepts) (OMAM),” IISER Kolkata. “Quantum Mechanical Studies on the Transannular Diels-Alder Reactions and Related Pericyclic Reactions of 14-Membered Macrocyclic Trienes.”
Invited Talks
  • 2026 – Delivered an invited talk at the International conference on “Modelling Chemical and Biological (Re)Activity” held at IIIT Hyderabad from December 11-14, 2026
Awards
  • 2024 – SAKURA Science Exchange Program to JAIST, Japan.
  • 2020 – Young Scientist Award in Chemical Sciences, Andhra Pradesh Akademi of Sciences
  • 2016 – Summer Research Fellowship [Teacher], Indian Academy of Science, Indian National Science Academy and the National Academy of Sciences.
  • 2011-2014 – DST INSPIRE Fellowship, Department of Science and Technology,
  • 2009 – Fair and Lovely Foundation Scholarship for pursuing D.
  • 2008 – Summer Research Fellowship [Student], JNCASR, Bengaluru,
  • 2007 – Summer Research Fellowship [Student], JNCASR, Bengaluru,
  • 2007 – Fair and Lovely Foundation Scholarship for pursuing M.Sc
Conferences
  1. 2025 – Workshop on IPR Awareness and Career Counselling (In Collabaration with Institutions Innovation Cell) SSSIHL. Role: Editorial Committee member
  2. 2024 – International Symposium on “Chemistry for a Sustainable Future: Bridging Science and Society” SSSIHL. Role: Technical Committee member
  3. 2023 – International Symposium on “Recent Trends in Sustainability in Chemical Sciences” SSSIHL. Role: Technical Committee member
  4. 2021 – International Online Symposium on “Recent Advances in Chemical Sciences,” jointly organized by the Department of Chemistry, SSSIHL. Role: Technical Committee member
  5. 2016 – Integrated Chemie Conference on Frontiers in Applied Chemistry (ICCON 2016), SSSIHL, Prasanthi Nilayam. Title of Talk: “Unusual Bonding in Molecules Containing Planar Tetracoordinate Centers.” Role: Poster presenter
  6. 2014 – International Conference on “Frontiers in Nano Science, Technology, and Applications,” SSSIHL, Prasanthi Nilayam. Role: Participant
  7. 2014 – Indo-German International 21-Day Winter School on “Modeling Chemical and Biological (Re)Activity (MCBR),” IIIT Hyderabad. Title of Poster: “Spatiotemporal Effects: Conformation of the Reactant Versus Intramolecular Reactivity.” Role: Poster presenter
  8. 2013 – Indo-German International Conference on “Modeling Chemical and Biological (Re)Activity (MCBR),” NIPER Title of Poster: “An Anti- and Pro- van’t Hoff-Le Bel Moiety: Computational Study of a Phosphonium Ion and Related Compounds.” Role: Poster presenter
  9. 2012 – Workshop on “Introduction to Gaussian: Theory and Practice,” conducted by Gaussian Inc., Wallingford, USA, at CLRI and IIT Madras. Role: Participant & Trainee
  10. 2011 – International Conference on “Applied Theory on Molecular Systems (ATOMS-2011),” IICT Hyderabad. Title of Poster: “Inherent Conformational Preferences of the Reactants Control Their Transannular Diels-Alder Reactivity.” Role: Poster presenter
  11. 2011 – Winter School on “Frontiers in Material Science,” JNCASR, Role: Participant
  12. 2011 – Theoretical Chemistry Symposium, IIT Title of Poster: “Computational Studies on the Transannular Diels-Alder Reaction of Macrocyclic Trienes.” Role: Poster presenter
  13. 2009 – International Symposium on “Of Molecules and Materials (A Survey of Recent Concepts) (OMAM),” IISER Kolkata. Title of Poster: “Quantum Mechanical Studies on the Transannular Diels-Alder Reactions and Related Pericyclic Reactions of 14-Membered Macrocyclic Trienes.” Role: Poster presenter
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