LouieSlocombe

ase-cp2k-noshell

Code for the ASE CP2K calculator but without using cp2k-shell

ASE_QChem_mod

Modified QChem calculator file

CenteredDifferences

Minimal centered differences package

Effect-of-Helicase-Separation-on-GC-Tautomerism

Effect of Helicase Cleavage on Guanine - Cytosine Tautomerism

Effect-of-Strand-Separation-on-AT-Tautomerism

H-Tunnelling-Graphene

Hydrogen tunnelling on Graphene project

Hello-world

HEOM.jl

Hierarchical Equations of Motion in Julia

HPC-Examples

Example input files for Eureka HPC

LouieSlocombe.github.io

LouieSlocombe/HEOM.jl

Hierarchical Equations of Motion in Julia

LouieSlocombe/CenteredDifferences

Minimal centered differences package

LouieSlocombe/Effect-of-Helicase-Separation-on-GC-Tautomerism

Effect of Helicase Cleavage on Guanine - Cytosine Tautomerism

LouieSlocombe/ase-cp2k-noshell

Code for the ASE CP2K calculator but without using cp2k-shell

LouieSlocombe/ASE_QChem_mod

Modified QChem calculator file

LouieSlocombe/Effect-of-Strand-Separation-on-AT-Tautomerism

LouieSlocombe/H-Tunnelling-Graphene

Hydrogen tunnelling on Graphene project

LouieSlocombe/Hello-world

LouieSlocombe/HPC-Examples

Example input files for Eureka HPC

LouieSlocombe/LouieSlocombe.github.io

LouieSlocombe/LS-ASE-Utils

Some useful functions for ASE

LouieSlocombe/LS-Utils

Useful functions

LouieSlocombe/sella_crash

crash example

LouieSlocombe/Watson-Crick-tautomerism-in-AT-and-GC-base-pairs