K V Jovan Jose
VIDWAN ID: 69607

Dr K V Jovan Jose

Male Doctor of Philosophy
Assistant Professor | School of Chemistry
University of Hyderabad, Hyderabad
Telangana
Expertise: Multidisciplinary Chemistry
42 Publications
2 Projects
1364 Scopus Citations
1360 CrossRef
16 Years 6 Months Total Experience
Publications
42 Total
Articles
38
Chapters
3
Proceedings
1
Activity

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Scopus Scopus
1,364 Citations
20 h-index
CrossRef CrossRef
1,360 Citations
20 h-index
Google Scholar Google Scholar

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Professional Recognition

National Chemical Laboratory Scholarship
2001
National Chemical Laboratory
Council of Scientific and Industrial Research
2003
CSIR
Top Ranker in Graduate Aptitude Test for Engineers
2003
GATE
Represented India at the Blind Test on Crystal Structure Prediction
2007
CCDC
Emmy Noether postdoctoral research fellowship
2010
Ruhr-Universit
National Science foundation (NSF) postdoctoral research fellowship
2012
Indiana University
Awarded the P2F/AEI workshop Selection
2016
American Chemical Society at Philadelphia
Selected for the Sci-Mix and P2F/AEI Poster session
2016
252nd American Chemical Society International Conference at Philadelphia
UGC-FRPS
2017
University Grants Commision
UPE-II Startup Grant
2017
University of Hyderabad

Community & Membership

Administration
member
Jan 2006
New Faculty selection and recrutement committee
Member
Jan 2017
School of Chemistry Purchase committee
Member
Jan 2017
Mentor for the IMSc Chemistry 2018 batch
Mentor
Jan 2017
Deutsche Physikalische Gesellschaft (DPG) Germany
member
Jan 2010
American Chemical society
Member
Jan 2014

Personal Details

Doctor of Philosophy
2009
N/A
Assistant Professor
Jan 2017 – Present
University of Hyderabad, Hyderabad | School of Chemistry
Post-Doctoral Fellow
Jan 2012 – Dec 2016
Indiana University
Post-Doctoral Fellow
Jan 2010 – Oct 2011
Ruhr-Universität Bochum
Chemical Sciences
Multidisciplinary Chemistry

Related Profiles

Scholarly Work

A New Artificial Neural Network Based Algorithm for De Novo Computer Aided Drug Design
Other
Role: Other
Development and Implementation of Analytical Higher Energy Derivatives within Molecules-in-molecules Electronic Embedding Method for the Evaluation of Vibrational Infrared Spectra of Large Molecules
Other
Agency: University Grants Commission Role: Other
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Scholarly Publications

Molecules-in-molecules fragment-based method for the calculation of chiroptical spectra of large molecules: Vibrational circular dichroism and Raman optical activity spectra of alanine polypeptides

Journal Article
CHIRALITY. Year: 2016. Volume: 28 , Issue: 12 , Pages: 755-768 .
Authors: K. V. Jovan Jose; Krishnan Raghavachari

Directed Electrostatics Strategy Integrated as a Graph Neural Network Approach for Accelerated Cluster Structure Prediction

Journal Article
Journal of Chemical Theory and Computation. Year: 2025. Volume: 21 , Issue: 2 , Pages: 978-990 .
Authors: Sridatri Nandy; K.V. Jovan Jose

The seventh blind test of crystal structure prediction: structure ranking methods

Open Access
Journal Article
ACTA CRYSTALLOGRAPHICA SECTION B (ELECTRONIC). Year: 2024. Volume: 80 , Issue: Pt 6 , Pages: 548-574 .
Authors: Lily M. Hunnisett; Nicholas Francia; Jonas Nyman; Nathan S. Abraham; Srinivasulu Aitipamula; Tamador Alkhidir; Mubarak Almehairbi; Andrea Anelli; Dylan M. Anstine; John E. Anthony; Joseph E. Arnold; Faezeh Bahrami; Michael A. Bellucci; Gregory J. O. Beran; Rajni M. Bhardwaj; Raffaello Bianco; Joanna A. Bis; A. Daniel Boese; James Bramley; Doris E. Braun; Patrick W. V. Butler; Joseph Cadden; Stephen Carino; Ctirad Červinka; Eric J. Chan; Chao Chang; Sarah M. Clarke; Simon J. Coles; Cameron J. Cook; Richard I. Cooper; Tom Darden; Graeme M. Day; Wenda Deng; Hanno Dietrich; Antonio DiPasquale; Bhausaheb Dhokale; Bouke P. van Eijck; Mark R. J. Elsegood; Dzmitry Firaha; Wenbo Fu; Kaori Fukuzawa; Nikolaos Galanakis; Hitoshi Goto; Chandler Greenwell; Rui Guo; Jürgen Harter; Julian Helfferich; Johannes Hoja; John Hone; Richard Hong; Michal Hušák; Yasuhiro Ikabata; Olexandr Isayev; Ommair Ishaque; Varsha Jain; Yingdi Jin; Aling Jing; Erin R. Johnson; Ian Jones; K. V. Jovan Jose; Elena A. Kabova; Adam Keates; Paul F. Kelly; Jiří Klimeš; Veronika Kostková; He Li; Xiaolu Lin; Alexander List; Congcong Liu; Yifei Michelle Liu; Zenghui Liu; Ivor Lončarić; Joseph W. Lubach; Jan Ludík; Noa Marom; Hiroyuki Matsui; Alessandra Mattei; R. Alex Mayo; John W. Melkumov; Bruno Mladineo; Sharmarke Mohamed; Zahrasadat Momenzadeh Abardeh; Hari S. Muddana; Naofumi Nakayama; Kamal Singh Nayal; Marcus A. Neumann; Rahul Nikhar; Shigeaki Obata; Dana O'Connor; Artem R. Oganov; Koji Okuwaki; Alberto Otero-de-la-Roza; Sean Parkin; Antonio Parunov; Rafał Podeszwa; Alastair J. A. Price; Louise S. Price; Sarah L. Price; Michael R. Probert; Angeles Pulido; Gunjan Rajendra Ramteke; Atta Ur Rehman; Susan M. Reutzel-Edens; Jutta Rogal; Marta J. Ross; Adrian F. Rumson; Ghazala Sadiq; Zeinab M. Saeed; Alireza Salimi; Kiran Sasikumar; Sivakumar Sekharan; Kenneth Shankland; Baimei Shi; Xuekun Shi; Kotaro Shinohara; A. Geoffrey Skillman; Hongxing Song; Nina Strasser; Jacco van de Streek; Isaac J. Sugden; Guangxu Sun; Krzysztof Szalewicz; Lu Tan; Kehan Tang; Frank Tarczynski; Christopher R. Taylor; Alexandre Tkatchenko; Rithwik Tom; Petr Touš; Mark E. Tuckerman; Pablo A. Unzueta; Yohei Utsumi; Leslie Vogt-Maranto; Jake Weatherston; Luke J. Wilkinson; Robert D. Willacy; Lukasz Wojtas; Grahame R. Woollam; Yi Yang; Zhuocen Yang; Etsuo Yonemochi; Xin Yue; Qun Zeng; Tian Zhou; Yunfei Zhou; Roman Zubatyuk; Jason C. Cole

The seventh blind test of crystal structure prediction: structure generation methods

Open Access
Journal Article
ACTA CRYSTALLOGRAPHICA SECTION B (ELECTRONIC). Year: 2024. Volume: 80 , Pages: 517-547 .
Authors: Lily M. Hunnisett; Jonas Nyman; Nicholas Francia; Nathan S. Abraham; Claire S. Adjiman; Srinivasulu Aitipamula; Tamador Alkhidir; Mubarak Almehairbi; Andrea Anelli; Dylan M. Anstine; John E. Anthony; Joseph E. Arnold; Faezeh Bahrami; Michael A. Bellucci; Rajni M. Bhardwaj; Imanuel Bier; Joanna A. Bis; A. Daniel Boese; David H. Bowskill; James Bramley; Jan Gerit Brandenburg; Doris E. Braun; Patrick W. V. Butler; Joseph Cadden; Stephen Carino; Eric J. Chan; Chao Chang; Bingqing Cheng; Sarah M. Clarke; Simon J. Coles; Richard I. Cooper; Ricky Couch; Ramon Cuadrado; Tom Darden; Graeme M. Day; Hanno Dietrich; Yiming Ding; Antonio DiPasquale; Bhausaheb Dhokale; Bouke P. van Eijck; Mark R. J. Elsegood; Dzmitry Firaha; Wenbo Fu; Kaori Fukuzawa; Joseph Glover; Hitoshi Goto; Chandler Greenwell; Rui Guo; Jürgen Harter; Julian Helfferich; Detlef W. M. Hofmann; Johannes Hoja; John Hone; Richard Hong; Geoffrey Hutchison; Yasuhiro Ikabata; Olexandr Isayev; Ommair Ishaque; Varsha Jain; Yingdi Jin; Aling Jing; Erin R. Johnson; Ian Jones; K. V. Jovan Jose; Elena A. Kabova; Adam Keates; Paul F. Kelly; Dmitry Khakimov; Stefanos Konstantinopoulos; Liudmila N. Kuleshova; He Li; Xiaolu Lin; Alexander List; Congcong Liu; Yifei Michelle Liu; Zenghui Liu; Zhi-Pan Liu; Joseph W. Lubach; Noa Marom; Alexander A. Maryewski; Hiroyuki Matsui; Alessandra Mattei; R. Alex Mayo; John W. Melkumov; Sharmarke Mohamed; Zahrasadat Momenzadeh Abardeh; Hari S. Muddana; Naofumi Nakayama; Kamal Singh Nayal; Marcus A. Neumann; Rahul Nikhar; Shigeaki Obata; Dana O'Connor; Artem R. Oganov; Koji Okuwaki; Alberto Otero-de-la-Roza; Constantinos C. Pantelides; Sean Parkin; Chris J. Pickard; Luca Pilia; Tatyana Pivina; Rafał Podeszwa; Alastair J. A. Price; Louise S. Price; Sarah L. Price; Michael R. Probert; Angeles Pulido; Gunjan Rajendra Ramteke; Atta Ur Rehman; Susan M. Reutzel-Edens; Jutta Rogal; Marta J. Ross; Adrian F. Rumson; Ghazala Sadiq; Zeinab M. Saeed; Alireza Salimi; Matteo Salvalaglio; Leticia Sanders de Almada; Kiran Sasikumar; Sivakumar Sekharan; Cheng Shang; Kenneth Shankland; Kotaro Shinohara; Baimei Shi; Xuekun Shi; A. Geoffrey Skillman; Hongxing Song; Nina Strasser; Jacco van de Streek; Isaac J. Sugden; Guangxu Sun; Krzysztof Szalewicz; Benjamin I. Tan; Lu Tan; Frank Tarczynski; Christopher R. Taylor; Alexandre Tkatchenko; Rithwik Tom; Mark E. Tuckerman; Yohei Utsumi; Leslie Vogt-Maranto; Jake Weatherston; Luke J. Wilkinson; Robert D. Willacy; Lukasz Wojtas; Grahame R. Woollam; Zhuocen Yang; Etsuo Yonemochi; Xin Yue; Qun Zeng; Yizu Zhang; Tian Zhou; Yunfei Zhou; Roman Zubatyuk; Jason C. Cole

Computational Spectroscopy of Large Molecules by Fragmentation Methods

Book Chapter
Year: 2023. Volume: 1 , Pages: V1-V1-152 .
Authors: K.V. Jovan Jose; Krishnan Raghavachari

Experimental and theoretical investigation of intramolecular cooperativity in cyclic benzene trimer motif

Open Access
Journal Article
RSC Advances. Year: 2019. Volume: 9 , Issue: 2 , Pages: 753-760 .
Authors: Chakka Kiran Kumar; Shankar Deval Sathiyashivan; Dhanraj T. Masram; K. V. Jovan Jose; Malaichamy Sathiyendiran

Fragment-Based Approaches for Supramolecular Interaction Energies: Applications to Foldamers and Their Complexes with Anions

Journal Article
Journal of Chemical Theory and Computation. Year: 2018. Volume: 14 , Issue: 12 , Pages: 6226-6239 .
Authors: Sibali Debnath; Arkajyoti Sengupta; K. V. Jovan Jose; Krishnan Raghavachari

Assessment of Fragmentation Strategies for Large Proteins Using the Multilayer Molecules-in-Molecules Approach

Journal Article
Journal of Chemical Theory and Computation. Year: 2018. Volume: 14 , Issue: 3 , Pages: 1383-1394 .
Authors: Bishnu Thapa; Daniel Beckett; K. V. Jovan Jose; Krishnan Raghavachari
Showing 1 to 8 of 42 publications