K. V. Jovan Jose
 Assistant Professor 
Ph. D. University of Pune, 2009
Postdoctoral Research    Ruhr-Universit├Ąt Bochum, Germany,  2010 - 2011  
  Indiana University, United States, 2012 - 2016
Assistant Professor University of Hyderabad, 2017 - Present
Phone: +91- 40- 23134834, E-mail: jovanjose@uohyd.ac.in 
Research Interests 
  • Development of new theoretical methods for evaluating the spectroscopic properties of large molecules.
  • Prediction of crystal structures of organic molecules from the molecule information.
  • Development of reactive force fields using artificial neural networks.
  • Understanding folding pathways of peptides.
  • Molecular electrostatic potential and topography.
  • Developing efficient algorithms for building  molecular clusters with specific properties.
Selected Publications
  •  Raman optical activity spectra for large molecules through molecules-in-molecules fragment-based approach 
    KV Jovan Jose, K Raghavachari, J. Chem. Theory Comput., 2016, 12 (2), 585-594
  • Vibrational circular dichroism spectra for large molecules through molecules-in-molecules fragment-based approach 
    KV Jovan Jose, D Beckett, K Raghavachari, J. Chem. Theory Comput., 2015. 11 (9), 4238-4247
  • Evaluation of energy gradients and infrared vibrational spectra through molecules-in-molecules fragment-based approach 
    KV Jovan Jose, K Raghavachari, J. Chem. Theory Comput., 2015, 11 (3), 950-961
  • Electrostatic Potential-Based Method of Balancing Charge Transfer Across ONIOM QM: QM Boundaries 
    KV Jovan Jose, K Raghavachari, J. Chem. Theory Comput., 2014, 10 (10), 4351-4359
  • Construction of high-dimensional neural network potentials using environment-dependent atom pairs 
    KV Jovan Josee, N Artrith, J Behler, The J. Chem. Phys., 2011, 136 (19), 194111