Publications per year
Publications per year
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Dive into the research topics where Sebastian Mai is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Collaborations and top research areas from the last five years
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BSE@GW-based protocol for spin-vibronic quantum dynamics using the linear vibronic coupling model. Formulation and application to an Fe(ii) compound
Bogdain, F., Mai, S., González, L. & Kühn, O. (Corresponding author), 23 Jul 2025, In: Physical Chemistry Chemical Physics. 27, 29, p. 15609-15621 13 p.Publications: Contribution to journal › Article › Peer Reviewed
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Direct observation of ultrafast symmetry reduction during internal conversion of 2-thiouracil using Coulomb explosion imaging
Jahnke, T. (Corresponding author), Mai, S., Bhattacharyya, S., Chen, K., Boll, R., Castellani, M. E., Dold, S., Frühling, U., Green, A. E., Ilchen, M., Ingle, R., Kastirke, G., Lam, H. V. S., Lever, F., Mayer, D., Mazza, T., Mullins, T., Ovcharenko, Y., Senfftleben, B. & Trinter, F. & 8 others, , Dec 2025, In: Nature Communications. 16, 1, 2074.Publications: Contribution to journal › Article › Peer Reviewed
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Efficient, Hierarchical, and Object-Oriented Electronic Structure Interfaces for Direct Nonadiabatic Dynamics Simulations
Mausenberger, S., Polonius, S., Mai, S. (Corresponding author) & González, L. (Corresponding author), 23 Sept 2025, In: Journal of Chemical Theory and Computation. 21, 18, p. 8994-9008 15 p.Publications: Contribution to journal › Article › Peer Reviewed
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SHARC 4: How a new, hierarchical interface framework enables multiscale simulations and effective workflows
Mai, S. (Invited speaker)
29 Sept 2025Activity: Talks and presentations › Talk or oral contribution › Science to Science
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Watching water dance around [Ru(bpy)3]2+ in real time
Farkhutdinova, D. (Speaker) & Mai, S. (Contributor)
25 Sept 2025Activity: Talks and presentations › Talk or oral contribution › Science to Science
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An Excitation Strategy for the Initial Condition Generation for Surface Hopping Trajectories using Electron-only Dynamics including Explicit Laser Pulses
Grünewald, L. (Contributor) & Mai, S. (Contributor)
25 Sept 2025Activity: Talks and presentations › Poster presentation › Science to Science