Engineer better materials using computational chemistry solutions (29/04/22)

Speaker and Affliation:

Dr. Sowmya Indrakumar
Siemens digital industry software, Netherlands


Dr. Sowmya Indrakumar is working as a Molecular Modeling Engineer for Siemens digital industry software in the Netherlands, and is also the Employee Ambassador for the Education of Simcenter Culgi. She completed her postdoc at the University of Copenhagen, working with intrinsically disordered proteins (IDPs) using simulation and biophysics techniques. She holds a Ph.D. in computational protein chemistry from the Technical University of Denmark, which was funded by Marie Skłodowska-Curie EU horizon 2020. Also, She is an alumna of our institute, and graduated from the first batch of BS(by Research)-MS in biology with a minor in mathematics.


29th April, 2022 (Friday), 03:00 PM (India Standard Time)


Department of Materials Engineering, KPA auditorium


Virtual screening of novel materials in an early stage of development is a key enabler of innovation in the chemical and process industries. This talk will introduce commonly used computational solutions for the design and screening of novel materials specifically using Siemens Simcenter Culgi software. As a case study, solubility and permeability of molecules will be discussed.

Some applications we are currently looking at include:

  • Thermodynamic and rheological properties

  • Interfacial phenomenon in surfactant innovation

  • Self-assembly of polymers

  • Prevention of phase separation of hydrogels

  • Biologics formulations

  • Ionic liquids properties for battery fuel cells