Chemistry PhD Student
Aerospace Engineering, M.S.
Astronautical Engineering, B.S.
Physics Minor
Researcher at the Collaborative High Altitude Flow Facility
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GaTech
- MoSE
Pinned Loading
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atomate2
atomate2 PublicForked from materialsproject/atomate2
atomate2 is a library of computational materials science workflows
Python
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CrystaLattE
CrystaLattE PublicForked from carlosborca/CrystaLattE
Set of scripts to automate the calculation of crystal lattice energies.
Python
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XML_REFORMAT
XML_REFORMAT PublicSort, Merge, and Reformat any number of OpenMM XML files produced by LigParGen
Python
249 contributions in the last year
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Contribution activity
March 2025
Created 1 commit in 1 repository
Opened 3 pull requests in 2 repositories
shehan807/HTMD
2
merged
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merge main to phoenix
This contribution was made on Mar 13
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Hive
This contribution was made on Mar 13
shehan807/atomate2
1
merged
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merge up to 3/10
This contribution was made on Mar 10
Reviewed 2 pull requests in 1 repository
materialsproject/atomate2
2 pull requests
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Add
DynamicOpenMMFlowMaker
for dynamic OpenMM SimulationsThis contribution was made on Mar 8 -
atomate2 / OpenMM OPLS-AA Enhancements
This contribution was made on Mar 6
Started 1 discussion in 1 repository
MDAnalysis/mdanalysis
MDAnalysis/mdanalysis
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[GSoC 2025 Project Idea] Implementing Particle Mesh Ewald-based Structure Factor Calculation
This contribution was made on Mar 19