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Consider the following method (Leimkuhler-Matthews) for fixed time-step integration of Brownian Dynamics:
- http://amrx.oxfordjournals.org/content/2013/1/34.abstract
- http://rspa.royalsocietypublishi…
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Rough idea, might be not precise:
- Once there was no life. There was just inanimate matter, molecules flying everywhere.
- Organic matter formed into nucleic acids
- The first organic compounds …
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I did a quick exploration of the Vivarium Web site, which was pointed out to me by Matthew Akamatsu at a workshop on synthesis of scientific knowledge (in which @eagmon also participates). Here's some…
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See: https://arxiv.org/abs/2009.10113
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Currently, only ODEs are supported, it would be great to be able to calculate Lyapunov exponents of random dynamical systems (RDS). (https://www.springer.com/de/book/9783540637585).
RDS studies how …
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Some tests in the ESPResSo v4.2.1 test suite are known to be flaky, and sometimes hang, for example:
* https://github.com/espressomd/espresso/issues/4639
We ran into similar problem when building …
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Hi. Fellow physics+audio nerd.
I'd love to see a smooth-random LFO module based on simple Brownian motion. Basically, add a random nudge at regular (or exponentially distributed intervals) with, sa…
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**Summary**
I would like to implement a new fix that simulates Langevin dynamics in the overdamped limit, commonly referred to as Brownian dynamics, so neglecting the inertial second derivative ter…
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Hello experts,
I've been trying to run simulations of proteins with a hybrid, both explicit+implicit, solvent model, but don't really know what is the right way to define the forcefield.
It is …
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## DDPM
#### 1. propose the definition of forward equation. i.e.
and thus
#### 2. design a neutral network that has the below property to approximate the reverse(denoising) process
then we …