The Disputation will be live streamed for everyone else.
The livestream will be activated 15 minutes before the Defence starts.
Trial lecture
May 26th, 10:15 AM, Auditorium 3, Chemistry building
Trial lecture title:
“Non-equilibrium molecular dynamics simulations and derivation of kinetics”
The trial lecture will be live streamed for everyone else.
The livestream will be activated 15 minutes before the trial lecture starts.
Kreeringssammendrag/Conferral summary
I sin avhandling har kandidaten avansert teorien, algoritmer og software for hybrid partikkelfelt-simulering av biologisk myk-materie.
Main research findings
Complex molecular motion can be investigated to reveal valuable information about their nature using the laws of physics with the strategy of molecular dynamics. To understand the dynamics of mesoscale systems like membranes, proteins and other large biological molecules, we employ a Hamiltonian hybrid particle-field approach. My work establishes this method in a rigorously energy-conserving scheme. By accounting for interactions between molecules by a slowly varying density field instead of particle-particle interactions, a computationally cost-effective method is obtained. Ergo, larger and more biologically relevant systems can be simulated. Our method operates at scales of micrometers and milliseconds without losing molecular resolution. With the new features, we can now simulate soft matter systems under physiological conditions of constant external pressure. The current work focuses on the recent theoretical and computational developments, largely in the direction of pressure controlled simulations, as well as in establishing a stronger foundation of the underlying theory. The dissertation proffers important developments that bridge scientific and life-sustaining interests, entering into a realm of simulating more realistic biological soft matter systems, thereby facilitating a reality of newer and better design of materials and drug-delivery mechanisms.
Candidate contact information
LinkedIn: samiran-sen-066044132
Email: samiransen23@gmail.com