What is he best known for?
The fields of study he is best known for:
- Quantum mechanics
- Molecule
- Organic chemistry
His primary areas of investigation include Density functional theory, Charge density, Quantum mechanics, Tight binding and Molecular dynamics.
His Density functional theory research includes themes of QM/MM, Molecular physics and Atomic physics.
The study incorporates disciplines such as Biomolecule, Hartree–Fock method, Statistical physics and Active site in addition to Charge density.
His study in the field of Quantum, Organic molecules, Excitation and Singlet state is also linked to topics like Series.
The various areas that Marcus Elstner examines in his Tight binding study include Atomic orbital, Coulomb, Thermodynamics, Mulliken population analysis and Affinities.
His work deals with themes such as Protein structure, Ab initio and Electronic structure, which intersect with Molecular dynamics.
His most cited work include:
- Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties (2541 citations)
- Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties (2541 citations)
- The retinal conformation and its environment in rhodopsin in light of a new 2.2 A crystal structure (852 citations)
What are the main themes of his work throughout his whole career to date?
Marcus Elstner spends much of his time researching Chemical physics, Molecular dynamics, Tight binding, Computational chemistry and Density functional theory.
Marcus Elstner combines subjects such as Biophysics, Quantum, Electronic structure, Electron transfer and Degrees of freedom with his study of Molecular dynamics.
His studies deal with areas such as Charge density, Coulomb, Atomic orbital, Parametrization and Molecular physics as well as Tight binding.
His Charge density study incorporates themes from Partial charge and Atomic physics.
His Computational chemistry research is multidisciplinary, incorporating perspectives in Bacteriorhodopsin and Stacking.
His Density functional theory study is associated with Quantum mechanics.
He most often published in these fields:
- Chemical physics (30.25%)
- Molecular dynamics (28.15%)
- Tight binding (25.63%)
What were the highlights of his more recent work (between 2015-2021)?
- Molecular dynamics (28.15%)
- Chemical physics (30.25%)
- Tight binding (25.63%)
In recent papers he was focusing on the following fields of study:
Marcus Elstner mainly investigates Molecular dynamics, Chemical physics, Tight binding, Molecule and Charge.
His study in Molecular dynamics is interdisciplinary in nature, drawing from both Exciton, Electron transfer, Proton and Ground state.
Exciton is a subfield of Quantum mechanics that he investigates.
The concepts of his Tight binding study are interwoven with issues in Excited state, Atomic orbital, Molecular physics and Density functional theory.
His research in Density functional theory intersects with topics in Non-covalent interactions and Ab initio.
His Molecule study incorporates themes from Bacteriorhodopsin, Hamiltonian and Active site.
Between 2015 and 2021, his most popular works were:
- Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications (131 citations)
- DFTB+, a software package for efficient approximate density functional theory based atomistic simulations. (78 citations)
- Electronic Coupling Calculations for Bridge-Mediated Charge Transfer Using Constrained Density Functional Theory (CDFT) and Effective Hamiltonian Approaches at the Density Functional Theory (DFT) and Fragment-Orbital Density Functional Tight Binding (FODFTB) Level. (30 citations)
In his most recent research, the most cited papers focused on:
- Quantum mechanics
- Molecule
- Organic chemistry
His primary areas of study are Molecule, Tight binding, Density functional theory, Chemical physics and Statistical physics.
His Molecule study combines topics in areas such as Crystallization, Solvent, Crystallography, Dimer and Emission spectrum.
His Tight binding research integrates issues from Excited state, Hamiltonian and Organic molecules.
Computational chemistry and Quantum mechanics are the focus of his Density functional theory studies.
His Chemical physics research is multidisciplinary, incorporating perspectives in Single crystal, Work, Organic semiconductor, Amorphous solid and Degree.
The various areas that Marcus Elstner examines in his Statistical physics study include Parametrization, Quantum, Variety and Range.
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