12
votes
Accepted
Deep Neural Networks: Are they able to provide insights for the many-electron problem or DFT?
"However, it is notorious due to the exponential wall"
That is completely true, though there's indeed some methods such as FCIQMC, SHCI, and DMRG that try to mitigate this:
How to overcome ...
- 33.1k
9
votes
Can Machine Learning lead to the more accurate theories and methods for matter modeling?
It is certainly possible to develop ML models that yield more accurate results than would be possible without ML.
One route to do this is through so-called "Δ-learning" where you use ML to ...
- 7,241
7
votes
Can Machine Learning lead to the more accurate theories and methods for matter modeling?
Within Monte Carlo (MC) methods, there are a few areas of active research in this regard:
Training ML models to identify phase transitions: In practice, it challenging to identify phase transitions ...
- 6,569
2
votes
Accepted
Is there a system of multiple interacting quantum particles for which the density can be obtained analytically?
Anyon suggested the Hubbard chain:
"How about the Hubbard chain?"
and Phil Hasnip suggested Hooke's atom:
"What about Hooke's atom? It's a 3D system of 2 fully-interacting electrons, ...
1
vote
Inverse Matrix Calculation
This sounds like you are doing something wrong.
Even in a non-orthogonal basis the diagonal $\mathbf S$ matrix has the identity matrix in the diagonal.
There could be a number of reasons why this ...
- 3,039
Only top scored, non community-wiki answers of a minimum length are eligible