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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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Topics: catalyst hub, first database in catalyst field. here

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catalysthub.in

catalysthub.in catalysthub.in           
Best CMA Institutes in Kerala
Catalyst Hub is one of the Best CMA Institutes in Kerala. We provide CMA Coaching classes in Kerala.

Semrush Rank: 7,074,150 Facebook ♡: 690
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oqmd.org

oqmd.org oqmd.org           
OQMD

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coudert.name

coudert.name coudert.name           
François-Xavier Coudert | Senior Researcher at CNRS & PSL University
François-Xavier Coudert, researcher at CNRS & Chimie ParisTech, molecular simulation of nanoporous materials

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Categories: Education/Reference, Education
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materialsproject.org

materialsproject.org materialsproject.org           

 . The Materials Project is an open-access database offering material properties to accelerate the development of technology by predicting how new materials–both real and hypothetical–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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Categories: Education/Reference, Information Technology
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openkim.org

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

Semrush Rank: 7,246,239
Categories: Software/Hardware, Reference
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crystallography.net

crystallography.net crystallography.net           
Crystallography Open Database
Database of crystal structures

Moz DA: 43 Moz Rank: 4.1 Semrush Rank: 630,166 Facebook ♡: 10
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ukcatalysishub.co.uk

ukcatalysishub.co.uk ukcatalysishub.co.uk           
UK Catalysis Hub – Our focus is on developing catalytic processes for more effective use of water and energy, waste minimisation, and material reuse and reduction in gaseous emissions.
UK Catalysis Hub - Our focus is on developing catalytic processes for more effective use of water and energy, waste minimisation, and material reuse and reduction in gaseous emissions.

Semrush Rank: 7,172,942
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catalysis-hub.org

catalysis-hub.org catalysis-hub.org           
Catalysis-Hub.Org
Catalysis-Hub.org is a frontend for browsing the SUNCAT CatApp database containing thousands of first-principles calculations related to heterogeneous catalysis reactions on surface systems. Its goal is to allow comprehensive and user-friendly access to raw quantum chemical simulations guided by heterogeneous catalysis concepts and commonly used graphical representations such as scaling relations and activity maps. All reaction energies are derived from periodic plane-wave density functional theory calculations. An increasing number of calculations contain the corresponding optimized geometry as well as further calculational details such as exchange-correlation (XC) functional, basis set quality, and k-point sampling. Ultimately, the goal is to provide fully self-contained data for predicting experimental observations from electronic structure calculations and using software packages such as Quantum Espresso, GPAW, VASP, and FHI-aims. Input and output with other codes is supported through the Atomic Simulation Environment (ASE). It may also serve as a natural starting point for training and developing machine-learning based approaches accelerating quantum chemical simulations.

Semrush Rank: 6,674,263
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scrap-catalyst-hub.com

scrap-catalyst-hub.com scrap-catalyst-hub.com           
Scrap Catalyst Hub - Catalytic Converter, Palladium, Platinum
scrap catalyst catalytic converter recycling and palladium platinum recovery

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rc-harwell.ac.uk

rc-harwell.ac.uk rc-harwell.ac.uk           
Home - Research Complex at Harwell
RCaH provides the environment and facilities for researchers in the life and physical sciences to undertake research and collaborate

Semrush Rank: 4,090,022
Categories: Internet Services, Business
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