Nano-QMFlows is a generic python library for computing (numerically) electronic properties for nanomaterials like the non-adiabatic coupling vectors (NACV) using several quantum chemical (QM) packages.If you use this software, please cite it as below
Community efforts in the computational molecular sciences (CMS) are evolving toward modular, open, a...
With constant improvements in the speed of computers, the importance of Quantum Monte Carlo (QMC) in...
To obtain observable physical or molecular properties like ionization potential and fluo- rescent wa...
Nano-QMFlows is a generic python library for computing (numerically) electronic properties for nanom...
We present the QMflows Python package for quantum chemistry workflow automatization. QMflows allows ...
QMflows library tackles the construction and efficient execution of computational chemistry workflow...
Community efforts in the computational molecular sciences (CMS) are evolving toward modular, open, a...
Community efforts in the computational molecular sciences (CMS) are evolving toward modular, open, a...
With constant improvements in the speed of computers, the importance of Quantum Monte Carlo (QMC) in...
To obtain observable physical or molecular properties like ionization potential and fluo- rescent wa...
Nano-QMFlows is a generic python library for computing (numerically) electronic properties for nanom...
We present the QMflows Python package for quantum chemistry workflow automatization. QMflows allows ...
QMflows library tackles the construction and efficient execution of computational chemistry workflow...
Community efforts in the computational molecular sciences (CMS) are evolving toward modular, open, a...
Community efforts in the computational molecular sciences (CMS) are evolving toward modular, open, a...
With constant improvements in the speed of computers, the importance of Quantum Monte Carlo (QMC) in...
To obtain observable physical or molecular properties like ionization potential and fluo- rescent wa...
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