NWChem: Past, present, and future.

@article{Apr2020NWChemPP,
  title={NWChem: Past, present, and future.},
  author={Edoardo Apr{\'a} and Eric J. Bylaska and Wibe A. de Jong and Niranjan Govind and Karol Kowalski and Tjerk P. Straatsma and Marat Valiev and Hubertus J.J. van Dam and Yuri Alexeev and James L. Anchell and Vladimir I. Anisimov and Fredy W. Aquino and Raymond Atta-Fynn and Jochen Autschbach and Nicholas P. Bauman and Jeffrey C. Becca and David E. Bernholdt and Kiran Bhaskaran-Nair and Stuart A. Bogatko and Piotr Borowski and Jeffery S. Boschen and Jiř{\'i} Brabec and Adam S Bruner and Emilie Cau{\"e}t and Y. L. Chen and Gennady N. Chuev and Christopher J. Cramer and Jeff A. Daily and M. J. O. Deegan and Thom H. Dunning and Michel Dupuis and Kenneth G. Dyall and George I. Fann and Sebastian Fischer and Alexandr Fonari and Herbert A. Fr{\"u}chtl and Laura Gagliardi and Jorge Garza and Nitin Gawande and S. Ghosh and Kurt R. Glaesemann and Andreas W. G{\"o}tz and Jeff R. Hammond and Volkhard Helms and Eric D. Hermes and Keiji Hirao and So Hirata and Mathias Jacquelin and Lasse Jensen and B. G. Johnson and Hannes J{\'o}nsson and R. A. Kendall and Michael Klemm and R Kobayashi and Vladimir I. Konkov and Sriram Krishnamoorthy and Manojkumar Krishnan and Z. Lin and Roberto Dias Lins and Rik J. Littlefield and Andrew J. Logsdail and Kenneth Lopata and W Ma and Aleksandr V. Marenich and J Martin Del Campo and Daniel Mej{\'i}a-Rodr{\'i}guez and J E Moore and Jeanne Mullin and Takahito Nakajima and Daniel R. Nascimento and Jeffrey A. Nichols and P. J. Nichols and Jarek Nieplocha and Alberto Otero-de-la-Roza and Bruce J. Palmer and Ajay Panyala and Teerapong Pirojsirikul and Bo Peng and Roberto Peverati and Jiř{\'i} Pittner and Lisa Pollack and Ryan M. Richard and P. Sadayappan and George C. Schatz and William A. Shelton and Daniel W. Silverstein and D. M. A. Smith and Thereza A. Soares and Duo Song and Marcel Swart and H. L. Taylor and Greg S. Thomas and Vinod Tipparaju and Donald G. Truhlar and Kiril Tsemekhman and Troy Van Voorhis and {\'A}lvaro V{\'a}zquez-Mayagoitia and Prakash Verma and O. Villa and Abhinav Vishnu and Konstantinos D. Vogiatzis and D Wang and John H. Weare and Mark J. Williamson and Theresa L. Windus and Krzysztof Wolinski and Adrian T. Wong and Q Wu and C. Yang and Q. Yu and Martin Zacharias and Z. J. Zhang and Y Zhao and Robert J. Harrison},
  journal={The Journal of chemical physics},
  year={2020},
  volume={152 18},
  pages={
          184102
        }
}
Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic properties. In this regard, electronic structure packages have played a special role by using first-principle-driven methodologies to model complex chemical and materials processes. Over the past few decades, the rapid development of computing technologies and the… 
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