Martin Dagleish

	Martin Dagleish, M.Sc., PhD student
	Room:	B5.011
	Phone:	+49 89 2180-72400
	E-Mail:	martin.dagleishcup.uni-muenchen.de

Research interests:

I am focusing on properties development for our recently developed Constraint-Based Orbital-Optimized Excited State Method (COOX), we are able to obtain excited states with arbitrary excitation patterns – including states with significant double-excitation character – at the density functional theory level with high algorithmic stability. The adherence to an Aufbau principle facilitates the straightforward computation of molecular gradients and enables the application of a large portion of the typical ground-state toolkit.

Currently I am working on the development of vibrationally resolved spectra using COOX and with analytical excited states nuclear Hessians.

Publications:

2	A. M. Szalai, G. Ferrari, L. Richter, J. Hartmann, M.-Z. Kesici, B. Ji, K. Coshic, M. R. J. Dagleish, A. Jaeger, A. Aksimentiev, I. Tessmer, I. Kamińska, A. M. Vera, P. Tinnefeld, "Single-molecule dynamic structural biology with vertically arranged DNA on a fluorescence microscope", Nat. Methods 22, 135–144 (2025).
1	L. Manzanares, D. Spurling, A. M. Szalai, T. Schröder, E. Büber, G. Ferrari, M. R. J. Dagleish, V. Nicolosi, P. Tinnefeld, "2D Titanium Carbide MXene and Single‐Molecule Fluorescence: Distance‐Dependent Nonradiative Energy Transfer and Leaflet‐Resolved Dye Sensing in Lipid Bilayers", Adv. Mater. 36, 2411724 (2024).