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Questions Tagged with "scikit chem"

Explore solved questions tagged with "scikit chem" or help others by answering their unsolved questions related to "scikit chem".

How to convert a SDF molecular structure file to a pandas dataframe with Python?

1 answer

Bioinformatics Asked 2 years ago

What thermodynamic data is collected in order to build a CALPHAD model?

3 answer

Matter Modeling Asked 2 years ago

Is there a way to obtain solution-phase dielectric constants?

1 answer

Matter Modeling Asked 2 years ago by nathanielng

What measured quantity can be associated to the value of the J parameter in the Heisenberg/Ising hamiltonians?

1 answer

Matter Modeling Asked 2 years ago

How can I calculate the Poisson ratio of an amorphous material with LAMMPS?

1 answer

Matter Modeling Asked 2 years ago

Examples of matter modeling in fiction

1 answer

Matter Modeling Asked 2 years ago

How is SIESTA and TranSIESTA different from plane wave DFT codes?

1 answer

Matter Modeling Asked 2 years ago

Supercomputers around the world, which allow access for researchers outside the country

1 answer

Matter Modeling Asked 2 years ago

What ab initio methods are better suited to modelling disorder in materials?

3 answer

Matter Modeling Asked 2 years ago

How to interpret molden AO/MO coefficients?

1 answer

Matter Modeling Asked 2 years ago

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