Faculty Details

Faculty Details

  • Name: Dr. Moumita Saharay
  • Mail: moumitasaharayuohyd.ac.in
  • Contact:
  • Area Of Research:Computational Biophysics, Biominerals, Biofuel

Affiliation: Assistant Professor, Department of Systems and Computational Biology, School of Life Sciences, UoH, India (from October, 2020)

Previous Position: UGC-Assistant Professor, Department of Physics, Osmania University, Hyderabad, India (2014-2020)

Education: Ph.D. Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Bangalore, India
                    M.Sc. (Physics) Science College, Calcutta University, West Bengal, India
                    B.Sc. (Physics)  St. Xavier's College, Calcutta University, West Bengal, India

Post-doctoral Appointments: Oak Ridge National Laboratory (ORNL), Tennessee, USA
                                                   Michigan State University (MSU), Michigan, USA




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17 RS Rani, M Saharay (2019) , Molecular dynamics simulation of protein-mediated biomineralization of amorphous calcium carbonate , RSC Advances, ,9 ,,1653-1663.
16 V Reddy, M Saharay (2019) , Solubility of Caffeine in Supercritical CO2 : A Molecular Dynamics Simulation Study , J. Phys. Chem. B, ,123,,9685–9691.
15 M Saharay, RJ Kirkpatrick (2017) , Water dynamics in hydrated amorphous materials: a molecular dynamics study of the effects of dehydration in amorphous calcium carbonate , Phys. Chem. Chem. Phys., ,19,,29594-29600.
14 R James Kirkpatrick, Andrey G Kalinichev, Geoffrey M Bowers, A Özgür Yazaydin, Marimuthu Krishnan, Moumita Saharay, Christin P Morrow (2015) , NMR and computational molecular modeling studies of mineral surfaces and interlayer galleries: A review , American Mineralogist, ,100,,1341-1354.
13 M Saharay, RJ Kirkpatrick (2014) , Ab initio and metadynamics studies on the role of essential functional groups in biomineralization of calcium carbonate and environmental situations , Phys. Chem. Chem. Phys., ,16,,26843-26854.
12 M Saharay, RJ Kirkpatrick (2014) , Onset of Orientational Order in Amorphous Calcium Carbonate (ACC) upon Dehydration , Chem. Phys. Lett., ,591,,287-291.
11 M Saharay, AO Yazaydin, RJ Kirkpatrick (2013) , Dehydration-Induced Amorphous Phases of Calcium Carbonate , J. Phys. Chem. B, ,117,,3328-3336.
10 M Krishnan, M Saharay, RJ Kirkpatrick (2013) , Molecular Dynamics Modeling of CO2 and Poly (Ethylene Glycol) in Montmorillonite: The Structure of Clay-Polymer Composites and the Incorporation of CO2 , J. Phys. Chem. C, ,117,,20592–20609.
9 M Saharay, HB Guo, JC Smith, H Guo (2010) , QM/MM Analysis of Cellulase Active Sites and Actions of the Enzymes on Substrates , ACS Symposium Series 1052, ACS,,,.
8 M Saharay, H Guo, JC Smith (2010) , Catalytic mechanism of cellulose degradation by a cellobiohydrolase, CelS , PLOS one, ,5,10,e12947.
7 M Saharay, S Balasubramanian (2009) , Ab initio molecular dynamics investigations of structural, electronic and dynamical properties of water in supercritical carbon dioxide , Indian Journal of Physics, , 83,,13-29.
6 BL Bhargava, M Saharay, S Balasubramanian (2008) , Ab initio studies on [bmim][PF 6]-CO 2 mixture and CO 2 clusters , Bulletin of Materials Science, ,31,,327-334.
5 M Saharay, S Balasubramanian (2007) , Evolution of intermolecular structure and dynamics in supercritical carbon dioxide with pressure: An ab initio molecular dynamics study , J. Phys. Chem. B, ,111,,387-392.
4 M Saharay, S Balasubramanian (2006) , Electron donor-acceptor interactions in ethanol-CO2 mixtures: An ab initio molecular dynamics study of supercritical carbon dioxide , J. Phys. Chem. B, , 110,,3782-3790.
3 M Saharay, S Balasubramanian (2004) , Ab initio molecular-dynamics study of supercritical carbon dioxide , J. Chem. Phys., ,120,,9694-9702.
2 M Saharay, S Balasubramanian (2004) , Enhanced molecular multipole moments and solvent structure in supercritical carbon dioxide , ChemPhysChem, , 5,,1442-1445.
1 M Saharay, P Sen (2003) , Persistence in an antiferromagnetic Ising system with conserved magnetisation , Physica A: Statistical Mechanics and its Applications , ,318 ,,243-250.