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Matter Modeling
B. Kelly's user avatar
B. Kelly's user avatar
B. Kelly's user avatar
B. Kelly
  • Member for 4 years, 4 months
  • Last seen more than a month ago
  • Canada
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A chemical engineer who dabbles in the computational chemistry and machine learning.

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question
30
When and Why does Density Functional Theory (DFT) fail?
May 12, 2020
answer
24
What is a good programming language for matter modeling?
May 5, 2020
question
22
Benchmarking data for Ewald summation algorithms
May 4, 2020
question
21
Materials Modeling with Raspberry Pi?
May 29, 2020
answer
21
What are some recent developments in density functional theory?
Jun 4, 2020
question
19
What is the cutting edge for open-source Force-Field generation?
Jun 29, 2020
answer
18
What are the parameters that need to be calculated to design the structure of a molecule?
May 30, 2020
question
16
Is there any software that is optimized specifically for QM/MM?
May 25, 2020
answer
15
How much does the initial geometry affect the final geometry in optimization calculations?
May 29, 2020
answer
14
How does one compute the boiling point of a liquid made of a particular molecule?
Aug 27, 2020
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110
Did the Black Lives Matter protests fail to cause a spike in coronavirus cases?
83
Has the US COVID-19 lockdown resulted in more years of life lost than COVID-19 itself?
14
Does the US no longer make antibiotics?
8
Define, (actually define) the "stability" and "energy" of a compound
8
How to install a package rdkit from Conda with pip?