Computational Science
kskinnerx16
  • Ann Arbor, MI, USA
  • Member for 1 year, 2 months
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About

Working towards my PhD in computational chemistry at UMich (expected graduation is 2021). I have experience with QM, MM, MD, QM/MM and QM/MD modeling.

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Job Scheduler for Local Machine
Jul 29 '20
0
Task Spooler – Executing an Executable within an Executable
Oct 7 '20
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13
How to classify structures and identify duplicates from a set of .xyz files?
12
Is there any software that is optimized specifically for QM/MM?
11
Constraining a set of atoms in the MM region using pDynamo (CHARMM/ORCA interface)
10
How to swap orbitals in ORCA?
10
Freely available constrained DFT implementations

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