Matter Modeling
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Cavenfish
  • Member for 2 years, 2 months
  • Last seen more than a month ago
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I'm currently a Chemistry PhD candidate at the Leiden University.

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All Questions Answers
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question
15
What exactly is the "Optimizer" in CP2K geometry optimization?
May 24, 2020
question
13
How much does the initial geometry affect the final geometry in optimization calculations?
May 29, 2020
question
11
Can you model Radiation Chemistry with existing MD software?
May 28, 2020
question
11
What are some available software packages for automated finding of local and absolute minima on PES?
Oct 19, 2020
answer
11
Tools for high-throughput DFT studies?
Jul 21, 2020
question
10
What are some methods for modeling bulk phase infrared spectra?
Jul 17, 2020
question
10
Is there a list of all functionals?
Oct 16, 2020
answer
6
How can I visualize the trajectory of a VASP simulation?
Oct 23, 2020
answer
5
GAMESS(US) Hessian calculation sometimes does not produce the IR intensities
Mar 29, 2021
answer
5
What does it mean if a strictly optimized experimental geometry presents imaginary frequencies?
Aug 5, 2020
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How does Cardano compare with other blockchains in terms of being eco-friendly?
9
How will DApps work on Cardano?
8
What is meant when people say a molecule has high multi-reference character?
8
Can we expect to see already existing stablecoins on Cardano?
5
How important is outreach for applying to tenure track professor position?

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