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Matter Modeling
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epalos
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About

Theoretical and computational chemist.

PhD student at University of California, San Diego.

Electronic Structure Theory, Many-Body Interactions and Polarizable Embedding.

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answer
32
Where is the extended Hückel method (EHM) still used today?
Apr 30, 2020
question
31
How is Julia used in matter modeling?
May 11, 2020
question
29
What is the appropriate way of determining a value for the Hubbard-like potential U for LDA+U / GGA+U calculations?
Apr 30, 2020
question
27
Available methods and codes for materials discovery / crystal structure prediction?
May 1, 2020
question
24
References for Molecular Dynamics?
Jul 26, 2020
question
23
What are the types of ab initio Molecular Dynamics?
Jul 15, 2020
question
22
Are there differences in accuracy and reliability between the frozen phonon method and Density Functional Perturbation Theory?
Apr 30, 2020
question
22
Database or repository with values for the Hubbard potential U?
May 4, 2020
question
19
Are there any High-Throughput studies that aim to discover High Tc superconductors?
May 2, 2020
question
19
How trustworthy is the Tran-Blaha modified Becke-Johnson potential and how does it perform across basis sets?
May 1, 2020
Top Meta posts
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Can we please change the site's name from "Materials Modeling" to "Matter Modeling"?
7
What about project-specific questions that include code or input files?
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