Adriano Santana Sanchez, Ph.D.

Postdoctoral Fellows

​Postdoctoral Fellow

Research Interests

​I am interested in applying computational tools such as density functional theory and molecular dynamics to provide insights into reaction mechanisms at the molecular level, calculate energy barriers and free energies. I am also interested in the in-silico design of materials and the prediction of their properties.

Selected Publications

  • A molecular to macro level assessment of direct contact membrane distillation for separating organics from water
    S. Pillai, A. Santana, R. Das, B.R. Shrestha, E. Manalastas, H. Mishra
    Journal of Membrane Science, p. 118140, (2020)
  • Nuclear Quantum Effects in Hydrophobic Nanoconfinement
    B.R. Shrestha, S. Pillai, A. Santana, S.H. Donaldson Jr., T. A. Pascal, H. Mishra
    Journal of Physical Chemistry Letters, volume 10, pp. 5530-5535, (2019)
  • The chemical reactions in electrosprays of water do not always correspond to those at the pristine air–water interf...
    A. Gallo Jr., A.S.F. Farinha, M. Dinis, A. Emwas, A. Santana, R.J. Nielsen, W.A. Goddard I...
    Chemical Science, (2019)


  • ​Ph.D., Chemistry, The University of Nottingham, Nottingham, UK, 2014
  • Chemistry, Autonomous University of Madrid, Madrid, Spain, 2008

Professional Profile

  • ​2017 - present: Postdoctoral fellow, KAUST, Thuwal, Saudi Arabia
  • 2015 - 2017:     Postdoctoral fellow, CSRC,Beijing, China
  • 2008 - 2009:     Research chemist, Infineum UK, Abingdon, UK

KAUST Affiliations

  • ​Water Desalination and Reuse Center (WDRC)
  • Biological and Environmental Science and Engineering Division (BESE)

Research Interests Keywords

​Density functional theory Molecular dynamics Free energy Transition state Machine learning