Markus Reiher

Papers

Total Citations

162

H-Index

About

Markus Reiher is a leading figure in theoretical chemistry, whose research centers on the development and application of advanced computational methods for simulating molecular systems. His major contributions lie in pioneering quantum chemical approaches for large-scale systems, particularly through the development of the quantum chemical multireference methods and the powerful density matrix renormalization group (DMRG) for ab initio calculations. Reiher is renowned for his work on the "Matter Simulation (R)evolution," a concept he has articulated in highly cited publications (over 140 citations for his 2018 paper alone), which outlines the transformative impact of artificial intelligence and high-performance computing on atomistic and continuum simulations. His impact is underscored by his leadership in creating the widely used software package for quantum chemistry, and his notable achievements include receiving the prestigious Dirac Medal and the Klung-Wilhelmy Science Award. Through his research, Reiher has fundamentally advanced our ability to model complex chemical reactions, catalysis, and materials, making him a pivotal figure in the ongoing computational revolution in chemistry.