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Feb 24, 2020 - Roff
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computational-physics
Here are 7 public repositories matching this topic...
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Oct 1, 2019 - Roff
Fits an anlalytic potential energy curve in order to reproduce spectroscopic or ab-initio data
machine-learning
statistics
energy
chemistry
physics
quantum
quantum-mechanics
least-squares
computational-chemistry
statistical-analysis
computational-physics
quantum-computing
fitting
curve-fitting
quantum-chemistry
potential
mathematical-modelling
spectroscopy
least-square-regression
diatomic-molecules
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Mar 8, 2023 - Roff
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Jun 18, 2020 - Roff
machine-learning
statistics
energy
quantum
quantum-mechanics
molecular-dynamics
mathematics
least-squares
computational-chemistry
statistical-analysis
computational-physics
fitting
curve-fitting
quantum-chemistry
potential
spectroscopy
forcefield
least-square-regression
diatomic-molecules
forcefield-parameterization
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Jun 14, 2023 - Roff
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Jun 19, 2020 - Roff
GitHub repository for the Matter Modeling Stack Exchange
website
engineering
data-science
chemistry
physics
modeling
quantum
computational-biology
computational-chemistry
computational-physics
quantum-computing
software
computational
physics-simulation
computational-science
theoretical-physics
mathematical-modelling
theoretical-chemistry
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May 17, 2024 - Roff
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