Maximilian Scheurer
Covestro (Germany)(DE)
Publications by Year
Research Areas
Spectroscopy and Quantum Chemical Studies, Advanced Chemical Physics Studies, Molecular spectroscopy and chirality, Quantum Information and Cryptography, Quantum Computing Algorithms and Architecture
Most-Cited Works
- → Recent developments in the PySCF program package(2020)1,065 cited
- → P SI4 1.4: Open-source software for high-throughput quantum chemistry(2020)948 cited
- → NAMD goes quantum: an integrative suite for hybrid simulations(2018)234 cited
- → PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations(2018)156 cited
- → Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry(2020)89 cited
- → VeloxChem: A Python‐driven density‐functional theory program for spectroscopy simulations in high‐performance computing environments(2019)70 cited
- → adcc: A versatile toolkit for rapid development of algebraic‐diagrammatic construction methods(2020)67 cited
- → Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs(2021)42 cited
- → Polarizable Embedding Combined with the Algebraic Diagrammatic Construction: Tackling Excited States in Biomolecular Systems(2018)33 cited
- → Modeling Molecules under Pressure with Gaussian Potentials(2020)33 cited