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    27 repositories

    • generative-optimization

      Public
      Jupyter Notebook
      •0•0•0•0•Updated Jan 29, 2026Jan 29, 2026

    • ree-literature-updates

      Public
      Python
      •0•0•0•0•Updated Jan 26, 2026Jan 26, 2026

    • tep-manuscript

      Public
      Jupyter Notebook
      •
      MIT License
      •0•0•0•0•Updated Jan 24, 2026Jan 24, 2026

    • binary-surfactant-classification

      Public
      Jupyter Notebook
      •0•1•0•0•Updated Mar 28, 2025Mar 28, 2025

    • Mapping-Uncertainty-Using-Differentiable-Programming

      Public
      Supporting information for "Mapping Uncertainty Using Differentiable Programming"
      Jupyter Notebook
      •0•1•0•0•Updated Mar 13, 2025Mar 13, 2025

    • emacs-ffi

      Public
      FFI for Emacs
      C
      •
      GNU General Public License v3.0
      •20•0•0•0•Updated Jan 4, 2025Jan 4, 2025

    • 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 <a href="http://dx.doi.org/10.1002/qua.25115" class="Link--inTextBlock" rel="nofollow">http://dx.doi.org/10.1002/qua.25115</a>
      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•5•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