Csaba Daday

The ORCA quantum chemistry program package

Computational Modeling and Simulation of CO₂Capture by Aqueous Amines

Embedded Correlated Wavefunction Schemes: Theory and Applications

The ab-initio density matrix renormalization group in practice

Sustainable Conversion of Carbon Dioxide: An Integrated Review of Catalysis and Life Cycle Assessment

Electron Injection from Copper Diimine Sensitizers into TiO₂: Structural Effects and Their Implications for Solar Energy Conversion Devices

TD-DFT benchmarks: A review

Understanding Catalytic Activity Trends in the Oxygen Reduction Reaction

State-Specific Embedding Potentials for Excitation-Energy Calculations

Introducing QMC/MMpol: Quantum Monte Carlo in Polarizable Force Fields for Excited States

Full Configuration Interaction Excitations of Ethene and Butadiene: Resolution of an Ancient Question