Repositories list

• si-dynamic-catalysis-1

  Public
  Jupyter Notebook

  •0•0•0•0•Updated May 5, 2024May 5, 2024

• boundary_search

  Public
  python modules designed to find classification boundaries

  Python

  •

  GNU General Public License v3.0

  •1•0•0•0•Updated Jul 11, 2023Jul 11, 2023

• SingleNN

  Public
  C++

  •1•0•0•0•Updated Apr 23, 2020Apr 23, 2020

• kitchingroup-72

  Public
  First-principles study of the Cu-Pd phase diagram

  TeX

  •0•1•0•0•Updated Oct 23, 2017Oct 23, 2017

• gilgamesh

  Public
  Documentation and scripts that are useful on gilgamesh

  Emacs Lisp

  •0•0•0•0•Updated Jul 28, 2017Jul 28, 2017

• kitchingroup-63

  Public
  Neural Network and ReaxFF comparison for Au properties http://dx.doi.org/10.1002/qua.25115

  TeX

  •1•1•0•0•Updated Sep 7, 2016Sep 7, 2016

• kitchingroup

  Public
  Kitchin Group Repository - group meeting schedule, notes, etc...

  TeX

  •0•3•0•0•Updated Jul 18, 2016Jul 18, 2016

• kitchingroup-66

  Public
  Automating data sharing through authoring tools

  HTML

  •0•3•0•0•Updated Jun 14, 2016Jun 14, 2016

• kitchingroup-46

  Public
  Electrocatalytic Oxygen Evolution With an Immobilized TAML Activator

  Emacs Lisp

  •0•0•0•0•Updated Feb 9, 2016Feb 9, 2016

• kitchingroup-55

  Public
  Alkaline Electrolyte and Fe Impurity Effects on the Performance and Active-Phase Structure of {NiOOH} Thin Films for {OER} Catalysis Applications

  TeX

  •0•1•0•0•Updated Feb 9, 2016Feb 9, 2016

• kitchingroup-56

  Public
  Data sharing in Surface Science

  TeX

  •0•0•0•0•Updated Feb 9, 2016Feb 9, 2016

• kitchingroup-57

  Public
  Examples of effective data sharing in scientific publishing

  TeX

  •0•0•0•0•Updated Feb 9, 2016Feb 9, 2016

• kitchingroup-58

  Public
  Investigating the Energetic Ordering of Stable and Metastable TiO2 Polymorphs Using DFT+U and Hybrid Functionals

  TeX

  •0•0•0•0•Updated Feb 9, 2016Feb 9, 2016

• kitchingroup-60

  Public
  The Role of Vdw Interactions in Coverage Dependent Adsorption Energies of Atomic Adsorbates on Pt(111) and Pd(111)

  TeX

  •0•0•0•0•Updated Feb 9, 2016Feb 9, 2016

• kitchingroup-51

  Public
  Core level shifts in Cu-Pd alloys as a function of bulk composition and structure

  TeX

  •0•0•0•0•Updated Feb 7, 2016Feb 7, 2016

• kitchingroup-9

  Public
  Role of Strain and Ligand Effects in the Modification of the Electronic and Chemical Properties of Bimetallic Surfaces

  TeX

  •0•0•0•0•Updated Feb 4, 2016Feb 4, 2016

• kitchingroup-7

  Public
  Modification of the Surface Electronic and Chemical Properties of Pt(111) By Subsurface 3d Transition Metals

  TeX

  •0•0•0•0•Updated Feb 4, 2016Feb 4, 2016

• kitchingroup-62

  Public
  Comparative microfluidic screening of amino acid salt solutions for post-combustion CO2 capture

  TeX

  •0•0•0•0•Updated Feb 4, 2016Feb 4, 2016

• kitchingroup-50

  Public
  A Linear Response, DFT+U Study of Trends in the Oxygen Evolution Activity of Transition Metal Rutile Dioxides

  TeX

  •0•1•0•0•Updated Feb 4, 2016Feb 4, 2016

• kitchingroup-43

  Public
  Simulating Temperature Programmed Desorption of Oxygen on {P}t(111) Using {DFT} Derived Coverage Dependent Desorption Barriers

  TeX

  •0•2•0•0•Updated Feb 4, 2016Feb 4, 2016

• kitchin-PhD-dissertation

  Public
  PhD dissertation for John Kitchin

  0•0•0•0•Updated Feb 2, 2016Feb 2, 2016