List of works - Wei Hu

A first-principles study of gas adsorption on germanene

scientific article published on 01 November 2014

Accelerating Excitation Energy Computation in Molecules and Solids within Linear-Response Time-Dependent Density Functional Theory via Interpolative Separable Density Fitting Decomposition

scientific article published on 16 January 2020

Adaptively Compressed Exchange Operator for Large-Scale Hybrid Density Functional Calculations with Applications to the Adsorption of Water on Silicene.

scientific article

Chebyshev polynomial filtered subspace iteration in the discontinuous Galerkin method for large-scale electronic structure calculations ⬇️

scientific article published in October 2016

Control of highly anisotropic electrical conductance of tellurene by strain-engineering

scientific article published on 01 November 2019

DGDFT: A massively parallel method for large scale density functional theory calculations ⬇️

scientific article

Edge reconstruction in armchair phosphorene nanoribbons revealed by discontinuous Galerkin density functional theory ⬇️

scientific article published on 20 February 2015

Edge-Modified Phosphorene Nanoflake Heterojunctions as Highly Efficient Solar Cells

scientific article published on 5 February 2016

Electronic and optical properties of graphene and graphitic ZnO nanocomposite structures

scientific article published in March 2013

Electronic structure and aromaticity of large-scale hexagonal graphene nanoflakes ⬇️

scientific article published in December 2014

Half-Metallicity in Organic Single Porous Sheets

scientific article published on 27 March 2012

Helium separation via porous silicene based ultimate membrane

scientific article published on 6 August 2013

High performance computing for first-principles Kohn-Sham density functional theory towards exascale supercomputers

scientific article published in 2022

Highly Efficient Photocatalytic Water Splitting over Edge-Modified Phosphorene Nanoribbons.

scientific article

Highly efficient heterojunction solar cells enabled by edge-modified tellurene nanoribbons

scientific article published on 11 December 2020

Identifying Photocatalytic Active Sites of C2H6 C–H Bond Activation on TiO2 via Combining First-Principles Ground-State and Excited-State Electronic Structure Calculations

scientific article published in 2022

Interpolative Separable Density Fitting Decomposition for Accelerating Hybrid Density Functional Calculations with Applications to Defects in Silicon.

scientific article

Interpolative Separable Density Fitting through Centroidal Voronoi Tessellation With Applications to Hybrid Functional Electronic Structure Calculations.

scientific article published on 25 January 2018

Low-Rank Approximations Accelerated Plane-Wave Hybrid Functional Calculations with k-Point Sampling

scientific article published on 17 December 2021

Machine Learning K-Means Clustering Algorithm for Interpolative Separable Density Fitting to Accelerate Hybrid Functional Calculations with Numerical Atomic Orbitals

scientific article published on 17 November 2020

Nondecaying long range effect of surface decoration on the charge state of NV center in diamond.

scientific article published in January 2013

Photogenerated-Carrier Separation and Transfer in Two-Dimensional Janus Transition Metal Dichalcogenides and Graphene van der Waals Sandwich Heterojunction Photovoltaic Cells

scientific article published on 30 April 2020

Projected Commutator DIIS Method for Accelerating Hybrid Functional Electronic Structure Calculations.

scientific article published on 22 September 2017

Silicene as a highly sensitive molecule sensor for NH3, NO and NO2

scientific article published on 05 March 2014

Structural, electronic, and optical properties of hybrid silicene and graphene nanocomposite.

scientific article published in October 2013

Systematic Synthesis of Tellurium Nanostructures and Their Optical Properties: From Nanoparticles to Nanorods, Nanowires, and Nanotubes

scholarly article by Jian-Wei Liu et al published 10 December 2015 in ChemNanoMat

Tunable Schottky and Ohmic contacts in graphene and tellurene van der Waals heterostructures

scientific article published on 18 October 2019

Tunable n-type and p-type doping of two-dimensional layered PdSe2via organic molecular adsorption

scientific article published on 08 June 2020

Two-Dimensional Giant Tunable Rashba Semiconductors with Two-Atom-Thick Buckled Honeycomb Structure

scientific article published on 24 December 2020

Two-dimensional Ca4N2 as a one-dimensional electride [Ca4N2]2+·2e- with ultrahigh conductance

scientific article published on 01 March 2020

Visualizing subsurface defects in graphite by acoustic atomic force microscopy

scientific article published on 18 April 2016

[Ti12In6O18(OOCC6H5)30]: a multifunctional hetero-polyoxotitanate nanocluster with high stability and visible photoactivity

scientific article published on 28 November 2016

List of works by Wei Hu

A first-principles study of gas adsorption on germanene

Accelerating Excitation Energy Computation in Molecules and Solids within Linear-Response Time-Dependent Density Functional Theory via Interpolative Separable Density Fitting Decomposition

Adaptively Compressed Exchange Operator for Large-Scale Hybrid Density Functional Calculations with Applications to the Adsorption of Water on Silicene.

Chebyshev polynomial filtered subspace iteration in the discontinuous Galerkin method for large-scale electronic structure calculations ⬇️

Control of highly anisotropic electrical conductance of tellurene by strain-engineering

DGDFT: A massively parallel method for large scale density functional theory calculations ⬇️

Edge reconstruction in armchair phosphorene nanoribbons revealed by discontinuous Galerkin density functional theory ⬇️

Edge-Modified Phosphorene Nanoflake Heterojunctions as Highly Efficient Solar Cells

Electronic and optical properties of graphene and graphitic ZnO nanocomposite structures

Electronic structure and aromaticity of large-scale hexagonal graphene nanoflakes ⬇️

Half-Metallicity in Organic Single Porous Sheets

Helium separation via porous silicene based ultimate membrane

High performance computing for first-principles Kohn-Sham density functional theory towards exascale supercomputers

Highly Efficient Photocatalytic Water Splitting over Edge-Modified Phosphorene Nanoribbons.

Highly efficient heterojunction solar cells enabled by edge-modified tellurene nanoribbons

Identifying Photocatalytic Active Sites of C<sub>2</sub>H<sub>6</sub> C–H Bond Activation on TiO<sub>2</sub> via Combining First-Principles Ground-State and Excited-State Electronic Structure Calculations

Interpolative Separable Density Fitting Decomposition for Accelerating Hybrid Density Functional Calculations with Applications to Defects in Silicon.

Interpolative Separable Density Fitting through Centroidal Voronoi Tessellation With Applications to Hybrid Functional Electronic Structure Calculations.

Low-Rank Approximations Accelerated Plane-Wave Hybrid Functional Calculations with k-Point Sampling

Machine Learning K-Means Clustering Algorithm for Interpolative Separable Density Fitting to Accelerate Hybrid Functional Calculations with Numerical Atomic Orbitals

Nondecaying long range effect of surface decoration on the charge state of NV center in diamond.

Photogenerated-Carrier Separation and Transfer in Two-Dimensional Janus Transition Metal Dichalcogenides and Graphene van der Waals Sandwich Heterojunction Photovoltaic Cells

Projected Commutator DIIS Method for Accelerating Hybrid Functional Electronic Structure Calculations.

Silicene as a highly sensitive molecule sensor for NH3, NO and NO2

Structural, electronic, and optical properties of hybrid silicene and graphene nanocomposite.

Systematic Synthesis of Tellurium Nanostructures and Their Optical Properties: From Nanoparticles to Nanorods, Nanowires, and Nanotubes

Tunable Schottky and Ohmic contacts in graphene and tellurene van der Waals heterostructures

Tunable n-type and p-type doping of two-dimensional layered PdSe2via organic molecular adsorption

Two-Dimensional Giant Tunable Rashba Semiconductors with Two-Atom-Thick Buckled Honeycomb Structure

Two-dimensional Ca4N2 as a one-dimensional electride [Ca4N2]2+·2e- with ultrahigh conductance

Visualizing subsurface defects in graphite by acoustic atomic force microscopy

[Ti12In6O18(OOCC6H5)30]: a multifunctional hetero-polyoxotitanate nanocluster with high stability and visible photoactivity