sodelab
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SI_CO2Trimers
SI_CO2Trimers PublicSI documentation for the journal article entitled, "Exploring the anharmonic vibrational structure of CO2 trimers."
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QuantumChemistryEducation
QuantumChemistryEducation PublicEducational resources and Jupyter Notebooks for teaching and learning quantum chemistry and computational chemistry concepts at undergraduate and graduate levels.
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Repositories
- SI_HeCO2 Public
- CO2CO2_AUTODIFF Public
- solid-CO2-thermodynamics Public
Interactive Jupyter workflow to compute and visualize the free‐energy phase diagram of solid CO2
- uvvis Public
- QuantumChemistryEducation Public
Educational resources and Jupyter Notebooks for teaching and learning quantum chemistry and computational chemistry concepts at undergraduate and graduate levels.
- openmm-ml Public Forked from sef43/openmm-ml
High level API for using machine learning models in OpenMM simulations
- SI_CO2Ar Public
SI documentation for the journal article entitled, "Theoretical investigation of the vibrational structure of the Ar-CO2 complex"
- SI_CO2Trimers Public
SI documentation for the journal article entitled, "Exploring the anharmonic vibrational structure of CO2 trimers."
- dimer-freq-manuscript Public
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