Casper Steinmann
Aalborg University(DK)
Publications by Year
Research Areas
Spectroscopy and Quantum Chemical Studies, Advanced Chemical Physics Studies, Protein Structure and Dynamics, Computational Drug Discovery Methods, Various Chemistry Research Topics
Most-Cited Works
- → Polarizable Density Embedding: A New QM/QM/MM-Based Computational Strategy(2015)100 cited
- → Effective Fragment Molecular Orbital Method: A Merger of the Effective Fragment Potential and Fragment Molecular Orbital Methods†(2010)80 cited
- → Improving solvation energy predictions using the SMD solvation method and semiempirical electronic structure methods(2018)64 cited
- → A third-generation dispersion and third-generation hydrogen bonding corrected PM6 method: PM6-D3H+(2014)62 cited
- → Response properties of embedded molecules through the polarizable embedding model(2018)61 cited
- → Fully Integrated Effective Fragment Molecular Orbital Method(2013)58 cited
- → FragIt: A Tool to Prepare Input Files for Fragment Based Quantum Chemical Calculations(2012)52 cited
- → Nuclear Magnetic Shielding Constants from Quantum Mechanical/Molecular Mechanical Calculations Using Polarizable Embedding: Role of the Embedding Potential(2014)41 cited
- → What is missing in autonomous discovery: open challenges for the community(2023)41 cited
- → Mapping Enzymatic Catalysis Using the Effective Fragment Molecular Orbital Method: Towards all ab initio Biochemistry(2013)37 cited