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Cavenfish

I'm currently a Physics PhD candidate at the University of Central Florida, working under Dr. Christopher J. Bennett.

My interests are in Computational Quantum Chemistry, Space Weathering, Surface Science and Radiation Transfer.

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  • University of Central Florida, Physical Sciences Building, Orlando, FL, USA
  • Cavenfish
  • cavenfish.github.io
  • Member for 10 months
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  • Last seen 14 hours ago

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14 What exactly is the “Optimizer” in CP2K geometry optimization? May 24 '20
13 How much does the initial geometry affect the final geometry in optimization calculations? May 29 '20
11 What are some available software packages for automated finding of local and absolute minima on PES? Oct 19 '20
10 Is there a list of all functionals? Oct 16 '20
10 What are some methods for modeling bulk phase infrared spectra? Jul 17 '20
10 Can you model Radiation Chemistry with existing MD software? May 28 '20
10 Tools for high-throughput DFT studies? Jul 21 '20
6 How can I visualize the trajectory of a VASP simulation? Oct 23 '20
5 What does it mean if a strictly optimized experimental geometry presents imaginary frequencies? Aug 5 '20
5 What are some ways to model disequilibrium processes with current software? Oct 24 '20
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