absorb.md

About Markus Reiher

ETH Zurich. Computational chemistry at the quantum/classical interface. Serious quantum chemistry methods for catalysis, materials, and molecular simulation. The "real chemist's chemist" in quantum.

arXiv
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What Markus Recommends
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Sources (5)

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  1. Foundation ML Potentials to Displace DFT in Computational Chemistrypaper · 2026-04-01
  2. Shifting Quantum Chemistry Paradigms Toward Utility-Scale Integrationpaper · 2026-03-19
  3. Orbital Transformations and Trotter Error in Quantum Phase Estimationpaper · 2026-02-21
  4. NQS-SC Outperforms NQS-VMC for Electronic Structure Calculations, Lacking in Dynamical Correlationpaper · 2026-02-13
  5. N-Mode Quantized Anharmonic Vibronic Hamiltonians Enhance Photochemical Dynamics Simulationspaper · 2025-11-06