What is he best known for?
The fields of study he is best known for:
- Organic chemistry
- Quantum mechanics
- Molecule
His primary scientific interests are in Density functional theory, Computational chemistry, Statistical physics, Basis set and Atomic physics.
His Density functional theory research is multidisciplinary, relying on both Ab initio and van der Waals force, London dispersion force.
In his work, Intramolecular force is strongly intertwined with Dispersion, which is a subfield of London dispersion force.
Stefan Grimme has included themes like Non-covalent interactions, Molecular physics, Ab initio quantum chemistry methods and Thermodynamics in his Computational chemistry study.
His study in Statistical physics is interdisciplinary in nature, drawing from both Electronic correlation, Thermochemistry, Atomic orbital, Electronic structure and Computation.
His Atomic physics study combines topics in areas such as Atom and Coupled cluster.
His most cited work include:
- A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu (16266 citations)
- Semiempirical GGA-type density functional constructed with a long-range dispersion correction. (15354 citations)
- Effect of the damping function in dispersion corrected density functional theory (6907 citations)
What are the main themes of his work throughout his whole career to date?
His main research concerns Density functional theory, Computational chemistry, Stereochemistry, Crystallography and Molecule.
His Density functional theory research includes themes of Molecular physics, Statistical physics, London dispersion force and Atomic physics.
His research integrates issues of Electronic structure, Quantum mechanics and Computation in his study of Statistical physics.
Stefan Grimme combines subjects such as Chemical physics, Electronic correlation, Non-covalent interactions, Thermodynamics and Ab initio with his study of Computational chemistry.
While the research belongs to areas of Stereochemistry, he spends his time largely on the problem of Medicinal chemistry, intersecting his research to questions surrounding Frustrated Lewis pair, Borane, Catalysis, Yield and Lewis acids and bases.
His Crystallography study frequently involves adjacent topics like Intramolecular force.
He most often published in these fields:
- Density functional theory (25.04%)
- Computational chemistry (23.52%)
- Stereochemistry (17.15%)
What were the highlights of his more recent work (between 2017-2021)?
- Density functional theory (25.04%)
- Catalysis (9.86%)
- Molecule (14.11%)
In recent papers he was focusing on the following fields of study:
The scientist’s investigation covers issues in Density functional theory, Catalysis, Molecule, Crystallography and Combinatorial chemistry.
The concepts of his Density functional theory study are interwoven with issues in Chemical physics, Computational physics, Quantum, Statistical physics and Computation.
His Statistical physics research focuses on subjects like Atomic orbital, which are linked to Basis set.
His Catalysis research is multidisciplinary, relying on both Photochemistry, Steric effects and Medicinal chemistry.
Stefan Grimme interconnects Ligand, Fullerene, Enantiomer and London dispersion force in the investigation of issues within Crystallography.
His London dispersion force study incorporates themes from Non-covalent interactions, Hybrid functional, Intramolecular force and Dispersion.
Between 2017 and 2021, his most popular works were:
- GFN2-xTB-An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions. (280 citations)
- A generally applicable atomic-charge dependent London dispersion correction (119 citations)
- B97-3c: A revised low-cost variant of the B97-D density functional method. (101 citations)
In his most recent research, the most cited papers focused on:
- Organic chemistry
- Quantum mechanics
- Catalysis
Stefan Grimme mainly investigates Chemical physics, Quantum chemistry, London dispersion force, Density functional theory and Catalysis.
His London dispersion force research incorporates themes from Lattice energy, Dispersion and Coupled cluster.
The various areas that Stefan Grimme examines in his Density functional theory study include Gaussian process, Atomic orbital, Valence, Statistical physics and Hyperpolarizability.
His work carried out in the field of Statistical physics brings together such families of science as Molecule, Implicit solvation, Electronic structure and Computation.
His Catalysis research integrates issues from Oxalyl chloride, Medicinal chemistry and Amine gas treating.
As a part of the same scientific study, Stefan Grimme usually deals with the Medicinal chemistry, concentrating on Borane and frequently concerns with Crystallography.
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