12 skills found
tproffen / DiffuseCodeSuite of programs to simulate disordered and nanomaterials
ai-chem / NanoMINERnanoMINER: Multimodal Information Extraction for Nanomaterials
msehabibur / ReaxFF LAMMPS Script For Tensile Test Upon OxidationThis reaxFF LAMMPS script can be used to simulate the oxidation of nanomaterials, followed by cooling and thermal equilibration. Finally, tensile tests are carried out to determine how oxidation affects the tensile strength of samples. Note that one might need to keep all the 3 files that are the LAMMPS script, force field, and coordinate files in the same directory while running simulations. For more insights, please take a look at the following paper: "High temperature oxidation of monolayer MoS2 and its effect on mechanical properties: A ReaxFF molecular dynamics study." https://www.sciencedirect.com/science/article/pii/S246802302100448X Also, any unanswered questions can be directed to rahma103@purdue.edu
SCM-NV / Nano QmflowsPackage containing several workflows to compute molecular properties for nanomaterials
biosoftware1948 / ENM Protein PredictorPredicts if Protein will reside in the protein corona on the surface of engineered nanomaterials
UlrikFriisJensen / CHILIChemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning
lavakyan / Ase BimetallCollection of ASE (Atomic Simulation Environment) Scripts for Bimetallic Nanoparticles
llnl / MI ChemVisA browser-based visualization of chemistry papers, specifically morphology, material, and chemical data extracted from them. The UI was made with nanomaterial synthesis papers in mind.
croningp / NanomaterialsDiscoverySoftware for the paper "A Nanomaterials Discovery Robot for the Darwinian Evolution of Shape Programmable Gold Nanoparticles" as published in Nature Communications.
rdbisme / Python Ransac LibraryA python library that implements RANSAC algorithm to detect data model features (e.g. Circle, exponential, etc...) inside images, videos and general dataset. Developed for the Nanomaterials for Aerospace Propulsion (NAP) course in PoliMi (www.polimi.it)
TITAN-FZJ / TITANTight-binding suite code for electronic structure of nanomaterials
cossphy / NanoMaterialsCADNo description available
