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First of all, thank you for the excellent tutorials and stk code. I'm a beginner at that, interested in material science mainly in extended frameworks.
I can form metal-organic cages based on paddle-…
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In molecular dynamics simulations at constant temperature and pressure of certain porous crystals such as metal/covalent organic frameworks -- and probably also other solids -- it is necessary to use …
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Hello everyone!
I have been performing hydrogen adsorption simulations on MOFs for some time. but since then I have faced the visualization problem. the RASPA tutorial says that we can visualize th…
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I'd like to ask why do we still need metal atoms to build cifs after X atoms added.
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Hi QuickFF developers,
I am going to implement QuickFF force field in CP2K package to simulate MOF reactions. I had installed QuickFF in my local computer and I had read your user guide and repeated …
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May we need to modify our old RG project?
https://www.researchgate.net/project/Efficient-treatment-of-magnetism-in-metal-organic-frameworks-MOFs
Or create a new project?
That we can link porE…
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### [REQUIRED] Please fill in the following fields:
* Unity editor version: 2020.2.0b2.3094
* Firebase Unity SDK version: 6.15.2
* Source you installed the SDK: Unity Package Manager (.…
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## Bug description
Upon choosing the first provider/database nothing happens.
### Expected behaviour (optional)
For a provider with only a single database, it should be chosen and the databas…
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This paper https://pubs.acs.org/doi/10.1021/acs.langmuir.8b01115 is available from chemRxiv https://chemrxiv.org/articles/Structure_and_Dynamics_of_Water_Confined_in_Imogolite_Nanotubes/6287810 but it…
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If I search for papers by a valid ORCID author id (for example [0000-0001-5318-3910](https://orcid.org/0000-0001-5318-3910)), not all papers known to ORCID are found by dissemin: 85 papers founds, whi…