Department of Chemistry
1925 N. 12th Street
Philadelphia, PA 19122
Vivek K. Yadav received a Ph.D. in Chemistry from Indian Institute of Technology Kanpur, India in October 2013. He then held as a Senior Project Associate at IIT Kanpur before joining Professor Klein’s research group as a postdoctoral fellow in February 2014.
- Ab initio molecular dynamics of aqueous and non aqueous systems at ambient and supercritical conditions.
- Vibrational spectroscopy of molecular solutes and ions in liquid water.
Honors & Awards
- Best tutor award at IIT Kanpur.
- Best Poster award at 9th CRSI-National Symposium in Chemistry, Delhi.
- Invited talk in 3rd Indo-Germam Conference on Modeling Chemical and Biological Reactivity, NIPER & IISER Mohali, India.
- Travel award From DST, CSIR and IIT Kanpur for USA (2011), SPAIN (2012) and JAPAN (2013) respectively.
5 most relevant publications
- “Probing the dynamics of N-methylacetamide in methanol via ab initio molecular dynamics” Vivek K Yadav, and Michael L. Klein (submitted)
- “A first principle simulation study of vibrational spectral diffusion and hydrogen bond fluctuation in aqueous solution of NMA” Vivek K Yadav and Amalendu Chandra; J Phys. Chem. B (2015).
- “Dynamics of supercritical methanol of varying density from first principles simulations: Hydrogen bond fluctuations, vibrational spectral diffusion and orientational relaxation” Vivek K Yadav and Amalendu Chandra; J. Chem. Phys. (2013).
- “Dynamics of hydrogen bonds and vibrational spectral diffusion in liquid methanol from first principles simulations with dispersion corrected density functional” Vivek K Yadav and Amalendu Chandra; Chem. Phys. (2013).
- Theory of anomalous diffusion impedance of realistic fractal electrodes; Rama Kant, R. Kumar and Vivek K. Yadav Journal of Physical Chemistry C (letters), (2008)