Zeyuan Tang's Wiki
Code
DFTB+
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xtb
[Materials Studio] :
MS Castep
[VASP] :
VASP
/
VASP Compilation
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VASP Scripts
Linux
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Atomistic Simulation Environment
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simiki
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Uncategorized
units
[Astrochem] :
Astrochemistry
[DFT] :
dispersion
/
xc
[PAH] :
Fragmentation
/
Growth
/
PAH IR
/
PAHs
[ML] :
Gaussian Process
/
Machine learning
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MD
[TS] :
NEB
/
Transition state
[vib] :
Vibration
Tool
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Zotero