Publications per year
Publications per year
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Dive into the research topics where Brigitta Bachmair 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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LVC/MM: A Hybrid Linear Vibronic Coupling/Molecular Mechanics Model with Distributed Multipole-Based Electrostatic Embedding for Highly Efficient Surface Hopping Dynamics in Solution
Polonius, S., Zhuravel, O., Bachmair, B. & Mai, S., 24 Oct 2023, In: Journal of Chemical Theory and Computation. 19, 20, p. 7171-7186 16 p.Publications: Contribution to journal › Article › Peer Reviewed
Open Access -
Nonadiabatic Forward Flux Sampling for Excited-State Rare Events
Reiner, M. M., Bachmair, B., Tiefenbacher, M. X., Mai, S., González, L., Marquetand, P. & Dellago, C., 28 Mar 2023, In: Journal of Chemical Theory and Computation. 19, 6, p. 1657–1671 15 p.Publications: Contribution to journal › Article › Peer Reviewed
Open Access -
Recent advances in machine learning for electronic excited state molecular dynamics simulations
Bachmair, B., Reiner, M. M., Tiefenbacher, M. X. & Marquetand, P., 19 Dec 2022, Chemical Modelling: Volume 17. Bahmann, H. & Tremblay, J. C. (eds.). Royal Society of Chemistry, Vol. 17. p. 178-200Publications: Contribution to book › Entry for reference work › Peer Reviewed
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Excited state simulation with explicit solvent made possible by machine learning
Maximilian Xaver Tiefenbacher (Contributor), Brigitta Bachmair (Contributor), Sebastian Mai (Contributor), Johannes Dietschreit (Contributor) & Julia Westermayr (Contributor)
12 Sept 2024Activity: Talks and presentations › Poster presentation › Science to Science
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Roadmap to enhanced path sampling for photoreactions
Brigitta Bachmair (Contributor), J. Mannouch (Contributor), Sebastian Mai (Contributor), Johannes Dietschreit (Contributor), Christoph Dellago (Contributor) & Leticia Gonzalez Herrero (Contributor)
11 Sept 2024Activity: Talks and presentations › Talk or oral contribution › Science to Science
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Nonadiabatic Transition Path Sampling
Brigitta Bachmair (Contributor), Johannes Dietschreit (Contributor), Leticia Gonzalez Herrero (Contributor) & Christoph Dellago (Contributor)
2 Sept 2024Activity: Talks and presentations › Talk or oral contribution › Science to Science