Alexandra Stan-Bernhardt

	Alexandra Stan-Bernhardt, M.Sc., PhD student
	Room:	B5.013
	Phone:	+49 89 2180-72402
	E-Mail:	alexandra.stancup.uni-muenchen.de
	ORCID:	0000-0003-3542-9993

Research interests:

In my research, I combine molecular dynamics with fast electronic structure methods, and data science procedures to accelerate and automate reaction path discovery and explore reaction networks. Creative solutions are needed to make such a complex topic more accessible to the scientific community. Fields of application for the developed methods are the emergence of life, as well as various other organic and inorganic systems.

Publications:

3	A. Stan-Bernhardt, L. Glinkina, A. Hulm, C. Ochsenfeld, "Exploring Chemical Space Using Ab Initio Hyperreactor Dynamics", ACS Central Science, 10, 302–314 (2024).
2	A. Stan, B. von der Esch, C. Ochsenfeld, "Fully Automated Generation of Prebiotically Relevant Reaction Networks from Optimized Nanoreactor Simulations", J. Chem. Theory Comput., 18, 6700-6712 (2022).
1	P. M. Jüstel, A. Stan, C. D. Pignot, A. R. Ofial, "Inherent Reactivity of Spiro-Activated Electrophilic Cyclopropanes", Chem. Eur. J., 27, 15928 (2021).