Title:	Ionziation of amino acids and peptides to test and benchmark MolDStruct software
DNr:	NAISS 2024/22-768
Project Type:	NAISS Small Compute
Principal Investigator:	Friederike Krüger <friederike.krueger@physics.uu.se>
Affiliation:	Uppsala universitet
Duration:	2024-05-24 – 2025-06-01
Classification:	10302
Keywords:

Abstract

I just started my PhD in Molecular Dynamics and for that I need computation time. I am investigating small proteins such as amino acids and peptides. I will be calculating their molecular dynamics after ionization, such as ion trajectories. This should help benchmarking a software created by our department. The overall goal is to enhance single particle imaging with XFELs.