List of works - Deyu Lu

Ab initio calculation of van der Waals bonded molecular crystals.

scientific article published on 22 May 2009

Ab initio calculations of optical absorption spectra: solution of the Bethe-Salpeter equation within density matrix perturbation theory.

scientific article published in October 2010

Calculation of Quasi-Particle Energies of Aromatic Self-Assembled Monolayers on Au(111).

scientific article published in April 2009

Confinement Effects on Furfuryl Alcohol Reactions over Porous Bilayer Silica-Modified Pd(111)

Correction to Ultrathin Amorphous Titania on Nanowires: Optimization of Conformal Growth and Elucidation of Atomic-Scale Motifs

scientific article published on 08 January 2020

Determination of the structure and geometry of N-heterocyclic carbenes on Au(111) using high-resolution spectroscopy

scientific article published on 05 November 2018

Dielectric properties of ice and liquid water from first-principles calculations

scientific article published on 08 April 2008

Energy Level Shifts at the Silica/Ru(0001) Heterojunction Driven by Surface and Interface Dipoles

scholarly article by Mengen Wang et al published 12 September 2016 in Topics in Catalysis

Evaluation of model exchange-correlation kernels in the adiabatic connection fluctuation-dissipation theorem for inhomogeneous systems.

scientific article

Excitation migration in trimeric cyanobacterial photosystem I

scientific article published on 01 June 2004

Geometric quantum adiabatic methods for quantum chemistry

scientific article published in 2022

Glycerol Conductance and Physical Asymmetry of the Escherichia coli Glycerol Facilitator GlpF ⬇️

scientific article published on November 1, 2003

Immobilization of single argon atoms in nano-cages of two-dimensional zeolite model systems

scientific article

Insights into the spurious long-range nature of local r-dependent non-local exchange-correlation kernels.

scientific article

Kinetic pathways of ionic transport in fast-charging lithium titanate

scientific article published on 01 February 2020

Measuring Charge Transfer between Adsorbate and Metal Surfaces

scientific article published on 07 August 2020

Power series expansion of the random phase approximation correlation energy: The role of the third- and higher-order contributions

scientific article

Rationalization of the Hubbard U parameter in CeO(x) from first principles: unveiling the role of local structure in screening

scientific article published in February 2014

Reversible structure manipulation by tuning carrier concentration in metastable Cu2S.

scientific article published on 30 August 2017

Solving local structure around dopants in metal nanoparticles with ab initio modeling of X-ray absorption near edge structure

scientific article published in 2016

Supervised Machine-Learning-Based Determination of Three-Dimensional Structure of Metallic Nanoparticles.

scientific article published on 29 September 2017

Surface Proton Transfer Promotes Four-Electron Oxygen Reduction on Gold Nanocrystal Surfaces in Alkaline Solution

scientific article

Van der waals interactions in molecular assemblies from first-principles calculations.

scientific article

List of works by Deyu Lu

Ab initio calculation of van der Waals bonded molecular crystals.

Ab initio calculations of optical absorption spectra: solution of the Bethe-Salpeter equation within density matrix perturbation theory.

Calculation of Quasi-Particle Energies of Aromatic Self-Assembled Monolayers on Au(111).

Confinement Effects on Furfuryl Alcohol Reactions over Porous Bilayer Silica-Modified Pd(111)

Correction to Ultrathin Amorphous Titania on Nanowires: Optimization of Conformal Growth and Elucidation of Atomic-Scale Motifs

Determination of the structure and geometry of N-heterocyclic carbenes on Au(111) using high-resolution spectroscopy

Dielectric properties of ice and liquid water from first-principles calculations

Energy Level Shifts at the Silica/Ru(0001) Heterojunction Driven by Surface and Interface Dipoles

Evaluation of model exchange-correlation kernels in the adiabatic connection fluctuation-dissipation theorem for inhomogeneous systems.

Excitation migration in trimeric cyanobacterial photosystem I

Geometric quantum adiabatic methods for quantum chemistry

Glycerol Conductance and Physical Asymmetry of the Escherichia coli Glycerol Facilitator GlpF ⬇️

Immobilization of single argon atoms in nano-cages of two-dimensional zeolite model systems

Insights into the spurious long-range nature of local r-dependent non-local exchange-correlation kernels.

Kinetic pathways of ionic transport in fast-charging lithium titanate

Measuring Charge Transfer between Adsorbate and Metal Surfaces

Power series expansion of the random phase approximation correlation energy: The role of the third- and higher-order contributions

Rationalization of the Hubbard U parameter in CeO(x) from first principles: unveiling the role of local structure in screening

Reversible structure manipulation by tuning carrier concentration in metastable Cu2S.

Solving local structure around dopants in metal nanoparticles with ab initio modeling of X-ray absorption near edge structure

Supervised Machine-Learning-Based Determination of Three-Dimensional Structure of Metallic Nanoparticles.

Surface Proton Transfer Promotes Four-Electron Oxygen Reduction on Gold Nanocrystal Surfaces in Alkaline Solution

Van der waals interactions in molecular assemblies from first-principles calculations.