List of works - Paul Erhart

A Unifying Perspective on Oxygen Vacancies in Wide Band Gap Oxides

scientific article published on 21 December 2017

Balancing Scattering Channels: A Panoscopic Approach toward Zero Temperature Coefficient of Resistance Using High-Entropy Alloys

scientific article published on 08 November 2018

Batteryless chemical detection with semiconductor nanowires

scientific article published on 01 January 2011

Beyond Magic Numbers: Atomic Scale Equilibrium Nanoparticle Shapes for Any Size

scientific article published on 09 August 2017

Comparative Ab-Initio Study of Substituted Norbornadiene-Quadricyclane Compounds for Solar Thermal Storage.

scientific article published on 26 January 2016

Defect-Dipole Formation in Copper-Doped PbTiO3 Ferroelectrics

scientific article published on 06 March 2008

Dipolar coupling of nanoparticle-molecule assemblies: An efficient approach for studying strong coupling

scientific article

Direct hot-carrier transfer in plasmonic catalysis

scientific article published on 11 March 2019

Extremely anisotropic van der Waals thermal conductors

scientific article published on 29 September 2021

First-principles calculations of the Urbach tail in the optical absorption spectra of silica glass

scientific article published on 10 January 2011

GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations

scientific article published in 2022

Geometry, electronic structure and thermodynamic stability of intrinsic point defects in indium oxide

scientific article published on 23 October 2009

High-Entropy Mixtures of Pristine Fullerenes for Solution-Processed Transistors and Solar Cells

scientific article published on 13 October 2015

ICET – A Python Library for Constructing and Sampling Alloy Cluster Expansions

scientific article published in 2019

Interatomic potentials for the Be–C–H system

scientific article published on 5 October 2009

Inverted valley polarization in optically excited transition metal dichalcogenides.

scientific article published on 6 March 2018

Kohn-Sham decomposition in real-time time-dependent density-functional theory: An efficient tool for analyzing plasmonic excitations.

scientific article published on September 2017

Loss channels in triplet-triplet annihilation photon upconversion: importance of annihilator singlet and triplet surface shapes

scientific article

Low Molecular Weight Norbornadiene Derivatives for Molecular Solar-Thermal Energy Storage

scientific article (publication date: 5 September 2016)

Low-temperature criticality of martensitic transformations of Cu nanoprecipitates in α-Fe

scientific article published on 09 July 2013

Molecular solar thermal energy storage in photoswitch oligomers increases energy densities and storage times.

scientific article

Norbornadiene-Based Photoswitches with Exceptional Combination of Solar Spectrum Match and Long-Term Energy Storage

scientific article published on 16 August 2018

Optimization of Norbornadiene Compounds for Solar Thermal Storage by First-Principles Calculations.

scientific article

Plasmon-Induced Direct Hot-Carrier Transfer at Metal–Acceptor Interfaces

scientific article published on 28 February 2019

Pressure-induced phase transition in the electronic structure of palladium nitride

scientific article published on 22 September 2010

Reversible metal-insulator transition of Ar-irradiated LaAl O 3 / SrTi O 3 interfaces

Strong plasmon-molecule coupling at the nanoscale revealed by first-principles modeling

scientific article published on 26 July 2019

Understanding the Interactions between Vibrational Modes and Excited State Relaxation in Y3–xCexAl5O12: Design Principles for Phosphors Based on 5d–4f Transitions

scientific article published in 2018

Understanding the Phase Diagram of Self-Assembled Monolayers of Alkanethiolates on Gold

scientific article published on 12 May 2016

WulffPack: A Python package for Wulff constructions

scientific article published on 07 January 2020

List of works by Paul Erhart

A Unifying Perspective on Oxygen Vacancies in Wide Band Gap Oxides

Balancing Scattering Channels: A Panoscopic Approach toward Zero Temperature Coefficient of Resistance Using High-Entropy Alloys

Batteryless chemical detection with semiconductor nanowires

Beyond Magic Numbers: Atomic Scale Equilibrium Nanoparticle Shapes for Any Size

Comparative Ab-Initio Study of Substituted Norbornadiene-Quadricyclane Compounds for Solar Thermal Storage.

Defect-Dipole Formation in Copper-Doped PbTiO3 Ferroelectrics

Dipolar coupling of nanoparticle-molecule assemblies: An efficient approach for studying strong coupling

Direct hot-carrier transfer in plasmonic catalysis

Extremely anisotropic van der Waals thermal conductors

First-principles calculations of the Urbach tail in the optical absorption spectra of silica glass

GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations

Geometry, electronic structure and thermodynamic stability of intrinsic point defects in indium oxide

High-Entropy Mixtures of Pristine Fullerenes for Solution-Processed Transistors and Solar Cells

ICET – A Python Library for Constructing and Sampling Alloy Cluster Expansions

Interatomic potentials for the Be–C–H system

Inverted valley polarization in optically excited transition metal dichalcogenides.

Kohn-Sham decomposition in real-time time-dependent density-functional theory: An efficient tool for analyzing plasmonic excitations.

Loss channels in triplet-triplet annihilation photon upconversion: importance of annihilator singlet and triplet surface shapes

Low Molecular Weight Norbornadiene Derivatives for Molecular Solar-Thermal Energy Storage

Low-temperature criticality of martensitic transformations of Cu nanoprecipitates in α-Fe

Molecular solar thermal energy storage in photoswitch oligomers increases energy densities and storage times.

Norbornadiene-Based Photoswitches with Exceptional Combination of Solar Spectrum Match and Long-Term Energy Storage

Optimization of Norbornadiene Compounds for Solar Thermal Storage by First-Principles Calculations.

Plasmon-Induced Direct Hot-Carrier Transfer at Metal–Acceptor Interfaces

Pressure-induced phase transition in the electronic structure of palladium nitride

Reversible metal-insulator transition of Ar-irradiated LaAl O 3 / SrTi O 3 interfaces

Strong plasmon-molecule coupling at the nanoscale revealed by first-principles modeling

Understanding the Interactions between Vibrational Modes and Excited State Relaxation in Y<sub>3–<i>x</i></sub>Ce<sub><i>x</i></sub>Al<sub>5</sub>O<sub>12</sub>: Design Principles for Phosphors Based on 5<i>d</i>–4<i>f</i> Transitions

Understanding the Phase Diagram of Self-Assembled Monolayers of Alkanethiolates on Gold

WulffPack: A Python package for Wulff constructions