%0 Journal Article %1 JCC:JCC23272 %A Waller, Mark P. %A Dresselhaus, Thomas %A Yang, Jack %D 2013 %J Journal of Computational Chemistry %K UML chemistry java programming quantum software %N 16 %P 1420--1428 %R 10.1002/jcc.23272 %T JACOB: An enterprise framework for computational chemistry %U http://dx.doi.org/10.1002/jcc.23272 %V 34 %X Here, we present just a collection of beans (JACOB): an integrated batch-based framework designed for the rapid development of computational chemistry applications. The framework expedites developer productivity by handling the generic infrastructure tier, and can be easily extended by user-specific scientific code. Paradigms from enterprise software engineering were rigorously applied to create a scalable, testable, secure, and robust framework. A centralized web application is used to configure and control the operation of the framework. The application-programming interface provides a set of generic tools for processing large-scale noninteractive jobs (e.g., systematic studies), or for coordinating systems integration (e.g., complex workflows). The code for the JACOB framework is open sourced and is available at: www.wallerlab.org/jacob. © 2013 Wiley Periodicals, Inc.

@article{JCC:JCC23272, abstract = {Here, we present just a collection of beans (JACOB): an integrated batch-based framework designed for the rapid development of computational chemistry applications. The framework expedites developer productivity by handling the generic infrastructure tier, and can be easily extended by user-specific scientific code. Paradigms from enterprise software engineering were rigorously applied to create a scalable, testable, secure, and robust framework. A centralized web application is used to configure and control the operation of the framework. The application-programming interface provides a set of generic tools for processing large-scale noninteractive jobs (e.g., systematic studies), or for coordinating systems integration (e.g., complex workflows). The code for the JACOB framework is open sourced and is available at: www.wallerlab.org/jacob. © 2013 Wiley Periodicals, Inc.}, added-at = {2013-05-25T19:08:01.000+0200}, author = {Waller, Mark P. and Dresselhaus, Thomas and Yang, Jack}, biburl = {https://www.bibsonomy.org/bibtex/2396920afc9b89d829041c1ced00b6371/drmatusek}, doi = {10.1002/jcc.23272}, interhash = {4837acfbfb5409b27e06f5fb4c2bc9ca}, intrahash = {396920afc9b89d829041c1ced00b6371}, issn = {1096-987X}, journal = {Journal of Computational Chemistry}, keywords = {UML chemistry java programming quantum software}, month = jun, number = 16, pages = {1420--1428}, timestamp = {2013-08-22T04:21:14.000+0200}, title = {JACOB: An enterprise framework for computational chemistry}, url = {http://dx.doi.org/10.1002/jcc.23272}, volume = 34, year = 2013 }