Top View
- Vasp/5.2.12, 5.3.2 Szip/2.1
- Jun Zhang, Vassiliki-Alexandra Glezakou, Manh-Thuong Nguyen, Roger Rousseau
- Firefly 8.0.0 Manual
- Benjamin P. Pritchard [email protected]
- Release65:Nwchem Documentation 1 Release65:Nwchem Documentation
- Molecvue Workshop on Computational Chemistry in the Undergraduate Curriculum
- Molecular Simulation on the K Computer and Towards Fugaku
- Nwchem: Past, Present, and Future
- From Nwchem to Nwchemex: Evolving with the Computational
- Nwchem, and Emslhub to Develop a Computational Chemistry Knowledge and Discovery Base Wibe A
- Using Computational Chemistry Software Effectively on Graham
- Web-Based Computational Chemistry Calculations in Education and Research
- Igvpt2 : an Interface to Computational Chemistry Packages for Anharmonic Corrections to Vibrational Frequencies
- TDDFT As a Tool in Chemistry II
- Nwchem and Global Arrays Applications Using MPI-3 RMA
- Development of High Performance Scientific Components for Interoperability of Computing Packages Teena Pratap Gulabani Iowa State University
- 15 Ab Initio Molecular Dynamics 124 15 Ab Initio Molecular Dynamics
- Task-Farming Parallelisation of Py-Chemshell for Nanomaterials: an ARCHER Ecse Project
- Introduction to Computational Chemistry Packages
- Challenges and Modificabons for Creabng a Mosgrid Science
- Gpu Accelerated Quantum Chemistry a Dissertation
- Arxiv:2002.05631V1 [Physics.Chem-Ph] 13 Feb 2020
- Accurate and Efficient Computation of Optical Absorption Spectra Of
- Local Excitement in CP2K: Ecse 03-11 Technical Report
- The Component-Based Application for GAMESS Fang Peng Iowa State University
- Chem545 Introduction to Iqmol Computational Chemistry
- Basic Introduction of Nwchem Software Background
- Nwchem: New Functionality
- Open-Source, Python-Based Redevelopment of the Chemshell Multiscale QM/MM Environment † ‡ † ⊥ ‡ § ‡ You Lu, Matthew R
- Dynamic Time Variant Connection Management for PGAS Models on Infiniband
- Linking Nwchem and Avogadro with the Syntax and Semantics of Chemical Markup Language
- Automated Code Generation and Optimization for GPU Kernels Alexey Titov, Ivan Ufimtsev, Nathan Luehr and Todd Martinez
- Performance Study of Popular Computational Chemistry Software Packages on Cray HPC Systems
- Nwchem User Documentation Release
- Webmo: Web-Based, State-Of-The-Art, and Cost Effective Computational Chemistry
- University Graphic Identity
- Computational Thermochemistry and Benchmarking of Reliable Methods
- An Introduction to Nwchem
- Early Application Results on Pre-Exascale Architecture with Anal- Ysis of Performance Challenges and Projections
- Software Needs for Quantum Chemistry Software
- The GAMESS-UK Electronic Structure Package: Algorithms, Developments and Applications
- Introduction to Nwchem
- NVIDIA GPU Applications Presentation
- What Do Groups 11 and 16 Have in Common? Jiyoung Lee Iowa State University
- High Performance Computing in COMPUTATIONAL CHEMISTRY
- Ab Initio, DFT) and Software
- Avogadro: an Advanced Semantic Chemical Editor, Visualization, And
- Common Workflows for Computing Material Properties Using Different
- Scientific Challenges: Linking Across Scales