Reinhard J Maurer

55PUBLICATIONS
136CO-AUTHORS
Molecular and organic electronicsCatalysis and mechanisms of reactionsMathematical aspects of classical mechanics, quantum mechanics and quantum information theoryTheoretical quantum chemistryNonlinear optics and spectroscopy
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Publications (55)

|Sep 17, 2026
Generative design of functional organic molecules for terahertz radiation detection.

|Sep 08, 2026
Magneto-Plasmonic Coupling Enhances Hot Carrier Dynamics for CO2 Reduction over Black Gold.

|Aug 10, 2026
First-principles Newns-Anderson Hamiltonian construction for chemisorbed hydrogen at metal surfaces.

|May 01, 2026
DSKO: Dancing through DFTB Parametrization.

|Apr 22, 2026
Mode selectivity in electron-promoted vibrational relaxation of chemisorbed hydrogen on molybdenum and tungsten surfaces.

|Feb 13, 2026
Practical integration of machine learning into ab initio calculations and workflows: Accelerating the SCF cycle via density matrix predictions.

Pavel Stishenko, Chen Qian, Julia Westermayr

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Frequent Collaborators

7 joint publications

Connor L Box

6 joint publications

Julia Westermayr

6 joint publications

Shayantan Chaudhuri

6 joint publications

David A Duncan