Sheeba Malik

Postdoctoral Research Associate

Email: [email protected]

1 Bethel Valley Rd.
Bldg. 8630, B-212
Oak Ridge, TN 37830


Google Scholar


Ph.D. in Computational Biology, Indian Institute of Technology, Jodhpur, 2017-2023
M.Sc. Chemistry (H), Indian Institute of Technology, Delhi, 2013-2015
B.Sc. Chemistry (H), University of Delhi , Delhi, 2010-2013

Research Interests

Computational Chemistry for Soft and Bio-Molecules



  • Malik, S.; Karmakar, S.; Debnath, A; Quantifying dynamical heterogeneity length scales of interface water across model membrane phase transitions., J. Chem. Phys. 2023, 158, 091103 (DOI: 10.1063/5.0137727).

  • Malik, S.; Debnath, A; Structural Changes of interfacial water upon fluid- ripple-gel phase transitions of bilayers, Chem. Phys. Lett. 2022, 799, 139613 4 (DOI: 10.1016/j.cplett.2022.139613).

  • Malik, S.; Debnath, A., Dehydration induced ordering mechanism of lipid bilayers, Journal of Chemical Physics 2021, 154, 174904 (DOI: 10.1063/5.0044614).

  • Srivastava, A.#; Malik, S.#; Karmakar, S.; Debnath, A. Dynamic Coupling of a Hydration Layer to a Fluid Phospholipid Membrane: Intermittency and Multiple Time-Scale Relaxations, Phys. Chem. Chem. Phys. 2020, 22, 21158−21168 (DOI: 10.1039/d0cp02803g).(# equal First author)

  • Kundu, S.; Malik, S.; Ghosh M.; Nandi S.; Pyne, A.; Debnath, A.; Sarkar N, A Comparative Study on DMSO-Induced Modulation of the Structural and Dynamical Properties of Model Bilayer Membranes, Langmuir 2021, 37, 2065–2078 (DOI: 10.1021/acs.langmuir.0c03037). 

  • Srivastava, A.; Malik, S.; Debnath, A. Heterogeneity in Structure and Dynamics of Water near Bilayers Using TIP3P and TIP4P/2005 Water Models, Chem. Phys. 2019, 525, 110396 (DOI: 10.1016/j.chemphys.2019.110396).