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OQMD

Categories: Business, Reference

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materialsproject.org

. The Materials Project is an open-access database offering material properties to accelerate the development of technology by predicting how new materialsâ€“both real and hypotheticalâ€“can be used. The project was established in 2011 with an emphasis on battery research, but includes property calculations for many areas of clean energy systems such as photovoltaics, thermoelectric materials, and catalysts. Most of the known 35,000 molecules and over 130,000 inorganic compounds are included in the database.Dr. Kristin Persson of Lawrence Berkeley National Laboratory founded and leads the initiative, which uses supercomputers at Berkeley, among other institutions, to run calculations using Density Functional Theory (DFT). Commonly computed values include enthalpy of formation, crystal structure, and band gap.

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catalysthub.net
Catalyst Hub | First database in catalyst field. Here, you can download files of cif or POSCAR of crystal structures freely.
Catalyst Hub | First database in catalyst field

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openkim.org
OpenKIM · Knowledgebase of Interatomic Models · Interatomic Potentials and Force Fields
OpenKIM Â· Knowledgebase of Interatomic Models Â· Interatomic Potentials and Force Fields

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coudert.name
François-Xavier Coudert | Senior Researcher at CNRS & PSL University
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materialscloud.org
Materials Cloud
Open Science Platform designed to enable seamless sharing of resources in computational materials science.

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crystallography.net
Crystallography Open Database
Database of crystal structures

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mpds.io
Materials Platform for Data Science
We deliver machine-readable critically evaluated inorganic materials data for materials science AI.

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openmopac.net
Stewart Computational Chemistry - MOPAC Home Page
Stewart Computational Chemistry - MOPAC Home Page

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ereztech.com
Your Full-Service Custom Synthesis Manufacturer | Ereztech
Ereztech provides R&D and manufacturing services for a wide range of organometallics, metals, air-sensitive materials, ligands, and other building blocks.

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