-
I'm looking at the oxidation of CO on Pd(100). I am using as my two descriptors the binding energy of carbon monoxide (E_CO) and the binding energy of oxygen (E_O). Scaling relationships are found thr…
-
This issue is meant as a discussion forum to accumulate ideas for test systems that could validate VMC and/or DMC for full algorithmic correctness for large scale systems with achievable computational…
-
I'm afraid this did not fully fix the issue... While there is no negative spike anymore, a growing positive spike does form over time:
![image](https://github.com/user-attachments/ass…
-
`3.x` version of https://github.com/godotengine/godot/issues/56633. I'm opening a separate issue as this needs to be implemented separately from `master`.
### Godot version
3.4.2.stable, 3.x (0b…
-
# Challenge 34 - Regional to Urban Air Quality Mapper
> **Stream 3 - Software Development for Earth Sciences applications**
### Goal
Develop an application capable of improving (downscaling) th…
-
The demo shows a large offset in the energy of *O from John's paper to the OCP predictions:
https://open-catalyst-project.github.io/tutorial/OCP-introduction.html
John explained this during the tuto…
-
The authors stated that ``The sphere has a radius of 1 Å, and 100 charges are placed randomly inside, representing the atoms in the solute.'' This is unphysical. There cannot be 100 atoms in a sphere …
-
## *Lab/Experiment(s) Hosting Request*
1. **Hosting Unit**:
1 | Modes of Vibrations of Vibration of Simply Supported Beam | https://github.com/virtual-labs/exp-simply-supported-beam-iitd | Mas…
-
Currently, the object selection window, like other windows with a scrollview, is quite limited in how many entries can be displayed. Due to scrollviews using int16_t to keep track of their scroll posi…
-
**Pure Compound Properties**: Currently we are using **density, hvap, static dielectric** constant for fitting. For the sage release, are we going to stick with these properties or do we want to add/s…