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List of works by Jan Gerit Brandenburg

1-15 of 15 results

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Thermal Expansion of Carbamazepine: Systematic Crystallographic Measurements Challenge Quantum Chemical Calculations

scientific article published on 25 August 2017
Fast and accurate quantum Monte Carlo for molecular crystals.

scientific article published on 5 February 2018
Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods

scientific article published on 10 January 2019
On the hydrogen activation by frustrated Lewis pairs in the solid state: benchmark studies and theoretical insights

scientific article
Solid state frustrated Lewis pair chemistry.

scientific article
Free-energy landscape of polymer-crystal polymorphism

scientific article published on 01 October 2020
Challenges for large scale simulation: general discussion

scientific article published on 23 November 2020
A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function bias

scientific article published on 01 October 2019
Structure and Stability of Molecular Crystals with Many-Body Dispersion-Inclusive Density Functional Tight Binding

scientific article published on 3 January 2018
Metal–organic frameworks properties from hybrid density functional approximations

scientific article published in 2022
New density-functional approximations and beyond: general discussion

scientific article published on 24 November 2020
Extending and assessing composite electronic structure methods to the solid state

scientific article published on 01 September 2019
Cost-effective composite methods for large-scale solid-state calculations

scientific article published on 21 September 2020
New approaches to study excited states in density functional theory: general discussion

scientific article published on 27 November 2020
Interaction between water and carbon nanostructures: How good are current density functional approximations?

scientific article published on 01 October 2019

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