molecular-dynamics

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Project Title	Project Institution	Project Owner	Tags	Status
Understanding Mechanical Properties of Bio-interfaces with HPC Molecular Simulations	University of Vermont	Juan Vanegas	simulations, molecular-dynamics, gromacs, bioinformatics, computational-chemistry, python, hpc, mpi	Complete

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Name	Region	Skills	Interests
Torey Battelle	MINES, RMACC	account compiling computational-chemistry dependencies gpfs hpc-getting-started molecular-dynamics permissions more...
Lisa Perez	SWEETER	computational-chemistry gaussian molecular-dynamics quantum-mechanics technical-training-for-hpc
Thomas Cheatham	At-Large, RMACC	community-outreach computational-chemistry gpus Management/Professional Development molecular-dynamics proposal-development Researcher-facing workforce-development	cyberinfrastructure Data-facing Management/Professional Development Researcher-facing Systems-facing
Jacob Pessin	Northeast	aws bash batch-jobs big-data bioinformatics cloud-storage (s-facing) cloud/vm cluster-support more...
Juan Vanegas	Northeast	bash batch-jobs bioinformatics compiling conda environment-modules hpc hpc-cluster-build more...

Name	Skills	Interests
Yves Dubief	big-data molecular-dynamics mpi parallelism performance programming-languages-and-software-support python visualization	batch-jobs molecular-dynamics mpi parallelism performance programming programming-best-practices python more...

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