This contains the input and output files used to generate the data in the figures and tables in the associated publication. Most files are in text-format, with some io
Code interoperability and the search for domain-specific standard data formats represent critical is...
Quantum chemistry must evolve if it wants to fully leverage the benefits of the internet age, where ...
This article summarizes technical advances contained in the fifth major release of the Q-Chem quantu...
Building on the success of Quantum Monte Carlo techniques such as diffusion Monte Carlo, alternative...
These files supplement J. Chem. Theory Comput. 2020, 16, 3, 1503–1510. For figures 1-3 and the TOC ...
Zip file containing integral files (FCIDUMP fils), outputs (.out files) and analysis files (.dat fil...
Abstract Computational Quantum Chemistry has developed into a powerful, efficient, reliable and incr...
Raw data used in "Twenty Years of Auxiliary-Field Quantum Monte Carlo in Quantum Chemistry: An Overv...
This upload contains all code, raw data, processed data and plots used in a publication released und...
The uploaded files contain the data of the simulations presented in the figures of the publication "...
Copyright and reuse: The Warwick Research Archive Portal (WRAP) makes this work by researchers of th...
Computational Quantum Chemistry has developed into a powerful, efficient, reliable and increasingly ...
Contains fulltext : 30055.pdf (publisher's version ) (Open Access)Radboud Universi...
This release includes a minimal set of quantum Monte Carlo data in the repository in order to make g...
To reduce file sizes, some of the directories have been compressed as separate files, whose names ca...
Code interoperability and the search for domain-specific standard data formats represent critical is...
Quantum chemistry must evolve if it wants to fully leverage the benefits of the internet age, where ...
This article summarizes technical advances contained in the fifth major release of the Q-Chem quantu...
Building on the success of Quantum Monte Carlo techniques such as diffusion Monte Carlo, alternative...
These files supplement J. Chem. Theory Comput. 2020, 16, 3, 1503–1510. For figures 1-3 and the TOC ...
Zip file containing integral files (FCIDUMP fils), outputs (.out files) and analysis files (.dat fil...
Abstract Computational Quantum Chemistry has developed into a powerful, efficient, reliable and incr...
Raw data used in "Twenty Years of Auxiliary-Field Quantum Monte Carlo in Quantum Chemistry: An Overv...
This upload contains all code, raw data, processed data and plots used in a publication released und...
The uploaded files contain the data of the simulations presented in the figures of the publication "...
Copyright and reuse: The Warwick Research Archive Portal (WRAP) makes this work by researchers of th...
Computational Quantum Chemistry has developed into a powerful, efficient, reliable and increasingly ...
Contains fulltext : 30055.pdf (publisher's version ) (Open Access)Radboud Universi...
This release includes a minimal set of quantum Monte Carlo data in the repository in order to make g...
To reduce file sizes, some of the directories have been compressed as separate files, whose names ca...
Code interoperability and the search for domain-specific standard data formats represent critical is...
Quantum chemistry must evolve if it wants to fully leverage the benefits of the internet age, where ...
This article summarizes technical advances contained in the fifth major release of the Q-Chem quantu...