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Grace (HHChuang)

HHChuang

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Company:Max Planck Institute for the Physics of Complex Systems

Twitter:@gracehhchuang

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Grace's repositories

align2mole

Align two molecules

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2DPES_PTSB

Construction of Two-Dimensional Potential Energy Surfaces of Reactions with Post-Transition-State Bifurcations

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EST-tool

Tool for electronic structure theory calculation

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HartreeFockPractice

Practice for wavefunction-based method in EST

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trajAnalysis

Analyze dynamic trajectory by user-defined criteria

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hhchuang.github.io

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MusicalScorePractice

Use lilypond to compose music score

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NAMD_interface

Interface of running nonadiabatic molecular dynamics between QChem and homemade nuclear dynamic program.

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Scripts-in-Obsidian

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