Alireza Marefat Khah
Publications by Year
Research Areas
Photochemistry and Electron Transfer Studies, Advanced Chemical Physics Studies, Photochromic and Fluorescence Chemistry, Quantum and electron transport phenomena, Quantum Computing Algorithms and Architecture
Most-Cited Works
- → TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations(2020)1,096 cited
- → Avoiding Electron Spill-Out in QM/MM Calculations on Excited States with Simple Pseudopotentials(2020)58 cited
- → COSMO-RI-ADC(2) excitation energies and excited state gradients(2018)48 cited
- → Reducing molecular electronic Hamiltonian simulation cost for linear combination of unitaries approaches(2023)45 cited
- → Analytic Excited State Gradients for the QM/MM Polarizable Embedded Second-Order Algebraic Diagrammatic Construction for the Polarization Propagator PE-ADC(2)(2018)18 cited
- → Ultrafast Dynamics of a Triazene: Excited-State Pathways and the Impact of Binding to the Minor Groove of DNA and Further Biomolecular Systems(2017)13 cited
- → Distributed Quantum Computing in Silicon(2024)12 cited
- → Polarizable Embedded RI-CC2 Method for Two-Photon Absorption Calculations(2015)11 cited
- → Comparison of Reaction Field Schemes for Coupling Continuum Solvation Models with Wave Function Methods for Excitation Energies(2020)9 cited
- → How a linear triazene photoisomerizes in a volume-conserving fashion(2018)9 cited