# Martin Stoehr

2, Avenue de l'Université
L-4365 Esch-sur-Alzette

# 2021

Coulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materials
; ; ; ;

in Nature Communications (2021), 12(1), 137

Quantum-mechanical force balance between multipolar dispersion and Pauli repulsion in atomic van der Waals dimers
; ; ;

in Physical Review Research (2021)

Top of Page

# 2020

DFTB+, a software package for efficient approximate density functional theory based atomistic simulations
; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ;

in The Journal of Chemical Physics (2020), 152(12), 124101

Accurate Many-Body Repulsive Potentials for Density-Functional Tight Binding from Deep Tensor Neural Networks
; ;

in Journal of Physical Chemistry Letters (2020), 11(16), 68356843

Top of Page

# 2019

Quantum mechanics of proteins in explicit water: The role of plasmon-like solute-solvent interactions
;

in Science Advances (2019), 5(12), 0024

Theory and practice of modeling van der Waals interactions in electronic-structure calculations
; ;

in Chemical Society Reviews (2019), 48

Top of Page

# 2018

Quantum-Mechanical Relation between Atomic Dipole Polarizability and the van der Waals Radius
; ; ;

in Physical Review Letters (2018), 121

Top of Page