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reported by: @CloudyLex
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Title:
Stark broadening of lines from transition between states n = 3 to n = 2 in neutral helium. An experimental and computer-simulation study
Authors:
Gigosos, M. A.…
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## Expected behavior ##
Dear all,
I am using OpenMM for the molecular dynamics simulations, and with the help of `mdtraj.reporters.HDF5Reporter`, I could save the velocities of each frame into a…
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- **Marcel Ritter**
- **Beginner**
- **20 Minutes**
- **OpenGL, Tessellation, F#, Multiplatform**
# \
## The talk
### One-sentence summary
Presentation of the concept and the implementati…
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Application: Tinker-HP
Link: https://tinker-hp.org/
Cluster: Young
Description: parallel molecular dynamics simulations on CPU/GPU using classical or machine-learning force fields
…
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It would be valuable to investigate the stability of molecular dynamics simulations using data types like `bfloat16`, which can offer a significant speed-up compared to the standard `float32`. To faci…
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Hi,Mike! I have a question want to require you. If I want to repeat your outcome,whether should I modify the Examples' .in and .data file.Can I just put the .in and .data files into lammps and run th…
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+ Buat peta topik riset bidang yang akan ditekuni dan sebaiknya lebih dari tiga sehingga dapat dicari irisannya.
+ Gunakan fitur [Mindmap dari Mermaid](https://mermaid.js.org/syntax/mindmap.html) unt…
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Simulated Solute Tempering, 2009
Robert Denschlag, Martin Lingenheil, Paul Tavan, and Gerald Mathias*
https://pubs.acs.org/doi/10.1021/ct900274n
Molecular Simulations of Mixed Lipid Bilayers with…
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## 🚀 Feature
Nearest-neighbor search with Ball Query under periodic boundary conditions. #1012 is more open-ended, but related.
## Motivation
[Force fields](https://en.wikipedia.org/wiki/Force_fi…
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Hi,
I was running the example scripts for HOOMD-Blue umbrella sampling and I am getting the following error.
******ubuntu-20.04.4.sif I have no name!@cs001 HOOMD]$ mpiexec --mca btl self -np 12…