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As simulations become more complex, setting up the path integrals for each port will become tedious! We should implement a method that automatically creates path integrals from very simple user input.…
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is there a Monte Carlo Method for Feynman Path Integral?I didn't find one in the doc
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This issue is to discuss the possibility of adding path integral methods to the already existing classical MD / MC framework. Quantum-classical isomorphism enables mapping of the thermodynamics of a …
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Consider the following complete example:
```py
from sympy import * #Using SymPy 1.10.1 in Python 3.10.4
a = Symbol("a")
x = Symbol("x")
fxa = (x**a-1) / log(x)
Ia = Integral( fxa, (x,0,1) …
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The existing backend is "Schrodinger"-style, which means it stores the entire wavefunction, runtime is O(2^N M) and space is O(2^N) where N is the number of qubits and M the number of gates. A Feynman…
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### Your current environment
vLLM 0.5.4
CUDA 12.4
flashinfer-0.1.5
A100 GPU
### 🐛 Describe the bug
I am using vLLM latest release (0.5.4). Installed "flashinfer" attention backend:…
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To perform thermodynamic integration between the classical and quantum partition functions, mulitple path integral molecular dynamics simulations should be performed for which the masses of the atoms …
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If I understand the state of research and theory, any "Schrödinger method" QC simulator definitely uses the Hamiltonian mechanics approach. Further, I think "tensor networks," which we might have some…
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Dear i-pi Developers,
I am trying to use i-PI with jaxmd to include some jax-based machine learning force-fields.
May I ask if there is any example or plan to integrate i-pi with jax-md? if not,…
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### Steps To Reproduce
```
sage: a = var('a', domain='positive')
sage: x_0, x_1, x_2 = var('x_0 x_1 x_2')
sage: show(integrate(e^(((x_0 - x_1)^2 + (x_1 - x_2)^2)*a), x_1, -Infinity, +Infinity, h…