Carlos E. V. de Moura

Carlos E. V. de Moura works in theoretical and computational chemical physics, developing quantum-chemistry methods to simulate how molecules absorb and emit X-rays and other high-energy radiation. His work includes designing new computational algorithms (such as configuration-interaction and coupled-cluster methods) and applying them to model spectroscopic experiments involving core-ionized states, photodissociation, and electron correlation effects in molecules. This research is aimed at better understanding molecular electronic structure and interpreting advanced spectroscopy experiments, often in collaboration with experimental groups.

Publication output has been variable but generally steady over the past decade, with a noticeable increase in output from 2022 onward and continued activity into 2025-2026.

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