The deployment of many-body quantum chemistry methods onto massively parallel high-performance computing (HPC) platforms is reviewed. The particular focus is on highly accurate methods that have become popular in predictive description of chemical phenomena, such as the coupled-cluster method. The account of relevant literature is preceded by a discussion of the modern and near-future HPC landscape and the relevant computational traits of the many-body methods, in their canonical and reduced-scaling formulations, that underlie the challenges in their HPC realization
Computational chemistry comprises one of the driving forces of High Performance Computing. In partic...
Computational chemistry comprises one of the driving forces of High Performance Computing. In partic...
The past several decades have witnessed tremendous strides in the capabilities of computational chem...
The deployment of many-body quantum chemistry methods onto massively parallel high-performance compu...
Parallel hardware has become readily available to the computational chemistry research community. Th...
One of the most prominent aims in Computational Chemistry is the modeling of chemical reactions and ...
This thesis, whose topic is quantum chemistry algorithms, is made in the context of the change in pa...
One of the most promising suggested applications of quantum computing is solving classically intract...
A parallel realization of the NDDO-WF technique for semi-empirical quantum-chemical calculations on ...
Knowledge of the structure and functionality of chemical systems does not only allow verification of...
A novel parallel hybrid quantum-classical algorithm for the solution of the quantum-chemical ground-...
A parallel implementation of the conventionally used NDDO (MNDO, AM1, PM3, CLUSTER-Z1) and modified ...
A parallel implementation of the conventionally used NDDO (MNDO, AM1, PM3, CLUSTER-Z1) and modified ...
We describe a program for quantum mechanical calculations of very large hydrocarbon polymer systems....
The field of high-performance computing is developing at an extremely rapid pace. Massively parallel...
Computational chemistry comprises one of the driving forces of High Performance Computing. In partic...
Computational chemistry comprises one of the driving forces of High Performance Computing. In partic...
The past several decades have witnessed tremendous strides in the capabilities of computational chem...
The deployment of many-body quantum chemistry methods onto massively parallel high-performance compu...
Parallel hardware has become readily available to the computational chemistry research community. Th...
One of the most prominent aims in Computational Chemistry is the modeling of chemical reactions and ...
This thesis, whose topic is quantum chemistry algorithms, is made in the context of the change in pa...
One of the most promising suggested applications of quantum computing is solving classically intract...
A parallel realization of the NDDO-WF technique for semi-empirical quantum-chemical calculations on ...
Knowledge of the structure and functionality of chemical systems does not only allow verification of...
A novel parallel hybrid quantum-classical algorithm for the solution of the quantum-chemical ground-...
A parallel implementation of the conventionally used NDDO (MNDO, AM1, PM3, CLUSTER-Z1) and modified ...
A parallel implementation of the conventionally used NDDO (MNDO, AM1, PM3, CLUSTER-Z1) and modified ...
We describe a program for quantum mechanical calculations of very large hydrocarbon polymer systems....
The field of high-performance computing is developing at an extremely rapid pace. Massively parallel...
Computational chemistry comprises one of the driving forces of High Performance Computing. In partic...
Computational chemistry comprises one of the driving forces of High Performance Computing. In partic...
The past several decades have witnessed tremendous strides in the capabilities of computational chem...