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MPQC
Free and Open Source Software for Computational Chemistry Education
Open Babel Documentation Release 2.3.1
In Quantum Chemistry
Application Profiling at the HPCAC High Performance Center Pak Lui 157 Applications Best Practices Published
High-Performance Algorithms and Software for Large-Scale Molecular Simulation
Core Software Blocks in Quantum Chemistry: Tensors and Integrals Workshop Program
A Summary of ERCAP Survey of the Users of Top Chemistry Codes
Massive-Parallel Implementation of the Resolution-Of-Identity Coupled
Lawrence Berkeley National Laboratory Recent Work
Optimizing the Use of Open-Source Software Applications in Drug
State, Trends, and Needs of Quantum Chemistry Software
Virt&L-Comm.3.2012.1
Computational Chemistry at the Petascale: Tools in the Tool Box
Open Source Molecular Modeling
TESSE, Task-Based Environment for Scientific Simulation at Extreme Scale
Open Babel Documentation
Nanoinformatics: Emerging Databases and Available Tools
Efficient Evaluation of Exact Exchange for Periodic Systems Via
Top View
Adaptive Application Composition in Quantum Chemistry
Qcjsonschema Documentation
Computational Chemistry a Teaser Introduction
From Nwchem to Nwchemex: Evolving with the Computational
Programmer's Reference 5-1 (21 June 2016)
S.A. Raja Pharmacy College Vadakkangulam-627 116
Isurvey - Online Questionnaire Generation from the University of Southampton
Arxiv:2006.02488V1 [Quant-Ph] 3 Jun 2020
Package 'Rcpi'
Preparing for the Sustainable Delivery of the DOE Exascale Software Stack
Best Practices: Application Profiling at the HPCAC High Performance Center
Computational Modeling of the Electron Momentum Density
The PSI3 User's Manual
Making Innovation Easier in Quantum Many-Body Problem
The Component-Based Application for GAMESS by Fang Peng a Thesis
The Component-Based Application for GAMESS Fang Peng Iowa State University
Automated Code Generation and Optimization for GPU Kernels Alexey Titov, Ivan Ufimtsev, Nathan Luehr and Todd Martinez
Computational Science at the Argonne Leadership Computing Facility Nichols A
Modernizing the Core Quantum Chemistry Algorithms Andrey Asadchev Iowa State University
(8 July 2016) General Atomic and Molecular Electronic Structure
How to Achieve Optimal Performance? Pak Lui 130 Applications Best Practices Published
Software Needs for Quantum Chemistry Software
2013 Science Highlights
Section 2 - Input Description * * * *********************************
Developing a Computational Chemistry Framework for the Exascale Era
MPI Profiling
Structural Biology Research Challenges
Computational Molecular Sciences Community
Chemical Tools and Visualization Software for Computational Science
Gator: a Python-Driven Program for Spectroscopy Simulations Using Correlated Wave Functions
Jeff R. Hammond Last Updated October 13, 2011 Mailing Address Other Addresses 9700 S. Cass Ave.
[email protected]
Bldg
Sustainable Software for Computational Chemistry and Materials Modeling
Open Source Molecular Modeling
Accurate Numerical Simulations of Chemical Phenomena Involved in Energy Production and Storage with MADNESS and MPQC
DFT Calculation of Electronic Structure: an Introduction Application to K-Edge
Qchem Manual