Top View
- Molecular Simulation on the K Computer and Towards Fugaku
- Overview of Cluster GPU Software Stack
- COMPUTATIONAL CHEMISTRY at NASA – AMES Research Center
- Choice of Optimal Shift Parameter for the Intruder State Removal Techniques in Multireference Perturbation Theory Shu-Wei Chang and Henryk A
- Course Title
- From Nwchem to Nwchemex: Evolving with the Computational
- Newsletter 75
- Quantum Chemistry at Work (1) Introduction, General Discussion, Methods, Benchmarking
- 1 Introduction
- Performance Optimization and Tuning for NEC TX7
- Quantum Chemistry (QC) on Gpus October 2017 Overview of Life & Material Accelerated Apps
- Advances in Molecular Quantum Chemistry Contained in the Q-Chem 4 Program Package
- TDDFT As a Tool in Chemistry II
- Nicolas Onofrio 176 Littleton Street, West Lafayette, in [email protected] (765) 421-3434 Languages: French, English
- 5.0004844 the DIRAC Code for Relativistic Molecular Calculations
- Multiwfn - a Multifunctional Wavefunction Analyzer
- Task-Farming Parallelisation of Py-Chemshell for Nanomaterials: an ARCHER Ecse Project
- Psi-K Highlight
- Arxiv:2002.05631V1 [Physics.Chem-Ph] 13 Feb 2020
- Chem545 Introduction to Iqmol Computational Chemistry
- Parallel Computational Chemistry International Conference On
- Invited Review
- Luscus: Molecular Viewer and Editor for MOLCAS Goran Kovaceviˇ C´1* and Valera Veryazov2
- HPC Documentation Release 0.0
- Software Needs for Quantum Chemistry Software
- Complete Active Space Wavefunction-Based Analysis of Magnetization and Electronic Structure Frédéric Gendron, Hélène Bolvin, Jochen Autschbach
- NVIDIA GPU Applications Presentation
- Molcas 8: New Capabilities for Multiconfigurational Quantum Chemical Calculations Across the Periodic Table Francesco Aquilante, Jochen Autschbach, Rebecca K
- Introduction to Electronic Structure Methods
- Gpu-Accelerated Applications Gpu‑Accelerated Applications
- Advances in Molecular Quantum Chemistry Contained in the Q-Chem 4 Program Package
- Subsystem Density-Functional Theory As an Effective Tool for Modeling