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8 Questions

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23	Where do the laws of quantum mechanics break down in simulations?
19	When is building a cluster in the cloud cheaper than building one in my lab for MD simulations?
9	Best practice for storing hierarchical simulation data
5	Are there any QM macromolecule simulation methods that can use an electron density map as input?
4	What are all of the different methods for parameterizing an amino acid (or other small molecule)?

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629 Reputation

+5	Best practice for storing hierarchical simulation data
+10	Simulating laminar fluid flow in microfluidics device
+5	Where do the laws of quantum mechanics break down in simulations?
+5	When is building a cluster in the cloud cheaper than building one in my lab for MD simulations?

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5 Answers

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6	Tools for computing an electric field based on location of charges?
4	Given large $x \in \mathbb{R}$, How to determine if $2^x$ is an integer?
3	Molecular dynamics simulation of water vapor?
2	How to establish that an iterative method can be applied to large matrices whose size may reach 10^3?
1	Hill climbing and coordinate descent/ascent

32 Tags

6 data-visualization	2 iterative-method
6 electromagnetism	2 homework
4 algorithms	1 optimization
3 molecular-dynamics	0 simulation × 3
2 linear-algebra	0 quantum-mechanics × 2

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