Skip to content

Langmuir is a Monte Carlo charge dynamics simulation engine for organic semiconductors, including FETs and solar cells

License

Notifications You must be signed in to change notification settings

LangmuirSim/langmuir

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 

Repository files navigation

LANGMUIR

  • Project Page
  • This is the source code for the Langmuir engine for charge transfer simulations in organic electronics.
  • The source code is available under the GNU General Public License, v2 or later.
  • Academic use should cite relevant papers, e.g.:
  1. Marcus D. Hanwell, Tamika A. Madison, Geoffrey R. Hutchison. “Charge Transport in Imperfect Organic Field Effect Transistors: Effects of Explicit Defects and Electrostatics.” J. Phys. Chem. C 2010 114(48) 20417-20423. http://dx.doi.org/10.1021/jp104416a
  2. Tamika A. Madison, Adam G. Gagorik, Geoffrey R. Hutchison. “Charge Transport in Imperfect Organic Field Effect Transistors: Effects of Charge Traps.” J. Phys. Chem. C 2012 116(22) 11852-11858. http://dx.doi.org/10.1021/jp207421n
  3. Adam G. Gagorik, Geoffrey R. Hutchison. “Simulating Charge Injection and Dynamics in Micro-Scale Organic Field-Effect Transistors.” J. Phys. Chem. C 2012 116(40) 21232-21239. http://dx.doi.org/10.1021/jp306597n
  4. Adam G. Gagorik, Jacob W. Mohin, Tomasz Kowalewski, Geoffrey R. Hutchison. “Monte Carlo Simulations of Charge Transport in 2D Organic Photovoltaics.” J. Phys. Chem. Lett 2013 4(1) 36-42. http://dx.doi.org/10.1021/jz3016292
  5. Adam G. Gagorik, Jacob W. Mohin, Tomasz Kowalewski, Geoffrey R. Hutchison. “Effects of Delocalized Charges on Organic Photovoltaics: Nanoscale 3D Monte Carlo Simulations.” Adv. Func. Mater. 2014. http://dx.doi.org/10.1002/adfm.201402332

EXAMPLES

  1. example input files can be found in ./examples
  2. manual can be found in ./misc

BUILD INSTRUCTIONS

  1. In order to build the Langmuir engine the following dependencies are required:
  • Qt4
  • Boost
  • CMake
  1. The following are optional:
  • OpenCL 1.1
  • OpenGL
  • Qt5
  1. QtCreator build:
  • open ./src/CMakeLists.txt in QtCreator
  1. Langmuir build:
cd ./src
mkdir build
cd build
cmake ../
make
exe is ./build/langmuir/langmuir
  1. LangmuirView build:
  • need Qt5
make langmuirView
./build/langmuirView/langmuirView
  1. Clang scan-build:
mkdir build
cd build
scan-build -v cmake ..
scan-build -v -k -analyze-headers -stats -o . make -j 4
scan-view scan-build-output-dir

Notes

  1. On a MAC, you may need to declare the arch:
cmake -DCMAKE_OSX_ARCHITECTURES=x86_64 ../
  1. On a cluster with modules, may have to set things up first:
module purge
module load cmake
module load gcc
module load boost/1.50.0-gcc45
module load qt
module list

Python

  1. see ./LangmuirPython/README.md

Documentation

  1. To make the cxx documentation:
cd ./doc
make html
make latex
  1. To make the manual:
cd ./doc/manual
make
  1. To make the python docs:
cd ./LangmuirPython/doc
export PYTHONPATH=$PYTHONPATH:/path/to/LangmuirPython
make html
make latexpdf

About

Langmuir is a Monte Carlo charge dynamics simulation engine for organic semiconductors, including FETs and solar cells

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published