-
Here are some references:
1. Measuring orbital interaction using quantum information theory (https://arxiv.org/abs/cond-mat/0508524)
2. Simulating Strongly Correlated Quantum Systems with Tree Tenso…
-
### 🐛 Describe the bug
Hi!
The idea of the code below is to run a custom version of SchNet on SMILES representations of molecules. Code:
```python
print("Importing packages...")
import torch
i…
-
http://www.quantum-espresso.org/download/
wdm78 updated
7 years ago
-
Sort out references for all models.
ohno updated
35 minutes ago
-
[eChem: A notebook exploration of quantum chemistry](https://chemrxiv.org/engage/chemrxiv/article-details/62d1764827b1e447bb3c47b1)
[AutoSolvate](https://aip.scitation.org/doi/abs/10.1063/5.0084833)
…
-
# Abstract
It is presumably easier to build ten thousand quantum computers with one hundred qubits than building one quntum computer with a million qubits. Fortunately, the leading candidate for Quan…
-
I recommend that you use ProQuest as it is provided by the district. ProQuest will allow you to access a variety of papers on the topics that you explored. I hope that you enjoy researching in this fi…
-
Defect Description:When we click on the 'Lecture' link which is placed corresponding to 'Quantum Chemistry Lab', it is redirecting to the same page instead it should redirect to the Lecture page
Actu…
-
# Abstract
One promising application of quantum computers is related to quantum Chemistry. Using the Variational quantum eigensolver (VQE), it is possible to find the minimum eigenvalue of a Hermitia…
-
Hi - Sorry this is not really an issue, but more of an attempt to make contact.
Very nice to discover this module. I hope too try it out soon. I've been working on [JuLIP](https://github.com/libAtom…