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MICRESS Benchmark of Early-Stage Growth from Liquid State
micress
phase-field
solidification
early-stage growth
benchmark
Lukas Koschmieder <l.koschmieder@access-technology.de>, Janin Eiken <j.eiken@access-technology.de>
0.1.1
Wind Turbine Rotor Blade Lifetime Extrapolation
workflow
simulation
fem
calculix
Sebastian Schröck <sebastian.schroeck@th-deg.de>, Alexander Seidel <alexander.seidel@tum.de>, Marc Luger <marc.luger@th-deg.de>
1.0.2
KNOW-NOW
LIGGGHTS
DEM
Celso R. C. Rego <celsorego@kit.edu>, Björn Mieller <bjoern.mieller@bam.de>
v.0.0.2
pyiron LAMMPS example
workflow
LAMMPS
molecular dynamics
Han Mai <h.mai@mpie.de>
v0.02_alpha
Monte Carlo Spin Dynamic with CINOLA
workflow
CINOLA
spin dynamics
monte carlo
Simon Bekemeier <simon.bekemeier@hsbi.de>, Schröder, Christian <christian.schroeder@hsbi.de>
v0.0.1
Graphite
graphite
structure
Celso R. C. Rego, celsorego@kit.edu
0.0.1
DB-Generator
data base
yaml
Celso R. C. Rego, celsorego@kit.edu
0.0.1
SEI-Model-Active-Learning
kMC
machine learning
Mohammad Soleymanibrojeni, mohammad.soleymanibrojeni@kit.edu, Celso R. C. Rego, celsorego@kit.edu
0.0.1
Electrolyte-Screening
dft
battery
Celso R. C. Rego, celsorego@kit.edu
0.0.1
PCU-MOF
MOF
dft
VASP
Mersad Mostaghimi, mersad.mostaghimi@kit.edu, Mariana Kozlowska, mariana.kozlowska@kit.edu, Celso R. C. Rego, celsorego@kit.edu
0.0.1
DFT-Turbomole
dft
Turbomole
Tobias Schlöder, tobias.schloeder@kit.edu, Celso R. C. Rego, celsorego@kit.edu
0.0.1
DFT-QE
dft
QE
Celso R. C. Rego, celsorego@kit.edu
0.0.5
Test-WaNo
test
Simstack-tags
Celso R. C. Rego, celsorego@kit.edu
version
pyiron segregation energy example
workflow
LAMMPS
molecular dynamics
Han Mai <h.mai@mpie.de>
v0.01_alpha2
pyiron FS energy example
workflow
LAMMPS
molecular dynamics
Han Mai <h.mai@mpie.de>
v0.0.2
pyiron VASP example
workflow
VASP
density functional theory
Han Mai <h.mai@mpie.de>
v0.0.2
Stop
prints
stop
Celso R. C. Rego, celsorego@kit.edu
0.0.3
DFT-VASP
dft
VASP
Celso R. C. Rego, celsorego@kit.edu
0.0.3
Projectile-motion
projectile
motion
lift
air resistance
Celso R. C. Rego, celsorego@kit.edu
0.0.3
pyiron workflow: tensile test
workflow
pyiron
ontology
sparql
experiment
tensile_test
Muhammad Hassani <hassani@mpie.de>
0.0.1
pyiron workflow template
workflow
template
keyword1
keyword2
author1 <email_address>, author2 <email_address>
0.0.1
pyiron-fenics workflow (demo): membrane under Gaussian load
pyiron
fenics
membrane
deflection
Muhammad Hassani <hassani@mpie.de>
0.0.3
Table-Generator
table
csv
yml
Celso R. C. Rego, celsorego@kit.edu
0.0.3
MyWaNo
SimStack
WaNo
template
J. Schaarschmidt
v0.0.1
PMD onboarding workshop: pyiron
pyiron
workshop
workflows
Muhammad Hassani <hassani@mpie.de>
0.0.2
pyiron workflow: lammps-damask interface
pyiron
lammps
damask
mechanical response
Liam Huber <huber@mpie.de>, Jan Janssen <janssen@mpie.de>, Muhammad Hassani <hassani@mpie.de>
0.0.4
Morse-pot
distance
diatomic molecules
Celso R. C. Rego, celsorego@kit.edu
0.0.2
Range-It
WaNo
list
float
int
Celso R. C. Rego
0.0.4
