Dr. Mayura Talwelkar Shimpi

Dr. Mayura Talwelkar Shimpi

Research Topic: Ionic liquids

Contact: mayura.talwelkarshimpi(@)mmk.su.se





Dr. Talwelkar Shimpi works primarily in crystal engineering of various organic molecules, which includes co-crystals, polymorphs. She finished her doctoral studies from Luleå University of Technology in the field of applied physics. Dr. Talwelkar Shimpi has experience in the synthesis and solid-state analysis of organic materials using different analytical techniques, X-ray diffraction, thermogravimetric analysis, differential scanning calorimetry, IR and UV. She is also versed in computational simulations of small organic molecules using first principal ab initio methods, DFT, and in running computational codes, NWChem, Gaussian, VASP and GROMACS.

Dr. Talwelkar Shimpi’s current research involves exploring ionic liquids in the field of pharmaceutical applications, using experimental and computational approaches.


Arora, K. K., Talwelkar, M., Pedireddi, V. R., Supramolecular synthesis of some molecular adducts of 4,4′-bipyridine N,N’-dioxide, New J. Chem., 2009, 33, 57–63
Talwelkar, M., Pedireddi, V. R., –B(OH)2 vs –OH in supramolecular synthesis: molecular complexes of 4-hydroxy phenylboronic acid with aza-donor compounds, Tetrahedron letters, 2010, 51, 6901-6905.
TalwelkarShimpi, M., Öberg, S., Giri, L., Pedireddi, V. R., Experimental and theoretical studies of molecular complexes of theophylline with some phenylboronic acids, RSC Advances, 2016, 49, 43060-43068.
TalwelkarShimpi, M., Öberg, S., Giri, L., Pedireddi, V. R., Some hydrated molecular complexes of 4-cyanophenylboronic acid: Significance of water in the stabilization by theoretical investigation, Crystal Growth and Design, 2017, 17, 12, 6247-6254.
TalwelkarShimpi M ., Sajjad, M., Larsson, J.A., Öberg, S., Theoretical investigation of 4 hydroxyphenylboronic acid co crystals with some aza donors using density functional theory with dispersion, Manuscript