2 papers
physics.chem-ph2023
Tensor-SqRA: Modeling the Transition Rates of Interacting Molecular Systems in terms of Potential Energies
Alexander Sikorski, Amir Niknejad, Marcus Weber +1
Estimating the rate of rare conformational changes in molecular systems is one of the goals of Molecular Dynamics simulations. In the past decades, a lot of progress has been done…
math.NA2020
Analyzing Raman Spectral Data without Separability Assumption
Konstantin Fackeldey, Jonas Röhm, Amir Niknejad +2
Raman spectroscopy is a well established tool for the analysis of vibration spectra, which then allow for the determination of individual substances in a chemical sample, or for th…