Publications

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For an updated h-index and citation count, please see my Google Scholar profile. As of late-2015, I have complied with the philosophy of green open access by depositing all manuscripts on the arXiv preprint server prior to submitting them for peer review (arXiv profile).

Preprints

2020

22. Sun, Q.; Zhang, X.; Banerjee, S.; Bao, P.; Barbry, M.; Blunt, N. S.; Bogdanov, N. A.; Booth, G. H.; Chen, J.; Cui, Z.-H.; Eriksen, J. J.; Gao, Y.; Guo, S.; Hermann, J.; Hermes, M. R.; Koh, K.; Koval, P.; Lehtola, S.; Li, Z.; Liu, J.; Mardirossian, N.; McClain, J. D.; Motta, M.; Mussard, B.; Pham, H. Q.; Pulkin, A.; Purwanto, W.; Robinson, P. J.; Ronca, E.; Sayfutyarova, E.; Scheurer, M.; Schurkus, H. F.; Smith, J. E. T.; Sun, C.; Sun, S.-N.; Upadhyay, S.; Wagner, L. K.; Wang, X.; White, A.; Whitfield, J. D.; Williamson, M. J.; Wouters, S.; Yang, J.; Yu, J. M.; Zhu, T.; Berkelbach, T. C.; Sharma, S.; Sokolov, A.; Chan, G. K.-L.: Recent Developments in the PySCF Program Package.

Peer-Reviewed Articles

2019

21. Eriksen, J. J.; Gauss, J.: Generalized Many-Body Expanded Full Configuration Interaction Theory.

20. Eriksen, J. J.; Gauss, J.: Many-Body Expanded Full Configuration Interaction. II. Strongly Correlated Regime.

2018

19. Eriksen, J. J.; Gauss, J.: Many-Body Expanded Full Configuration Interaction. I. Weakly Correlated Regime.

2017

18. Eriksen, J. J.; Lipparini, F.; Gauss, J.: Virtual Orbital Many-Body Expansions: A Possible Route Towards the Full Configuration Interaction Limit.

17. Eriksen, J. J.: Efficient and Portable Acceleration of Quantum Chemical Many-Body Methods in Mixed Floating Point Precision using OpenACC Compiler Directives.

16. Kjærgaard, T.; Baudin, P.; Bykov, D.; Eriksen, J. J.; Ettenhuber, P.; Kristensen, K.; Larkin, J.; Liakh, D.; Pawlowski, F.; Vose, A.; Wang, Y. M.; Jørgensen, P.: Massively Parallel and Linear-Scaling Algorithm for Second-Order Møller-Plesset Perturbation Theory Applied to the Study of Supramolecular Wires.

2016

15. Eriksen, J. J.; Kristensen, K.; Matthews, D. A.; Jørgensen, P.; Olsen, J.: Convergence of Coupled Cluster Perturbation Theory.

14. Kristensen, K.; Eriksen, J. J.; Matthews, D. A.; Olsen, J.; Jørgensen, P.: A View on Coupled Cluster Perturbation Theory Using a Bivariational Lagrangian Formulation.

13. Eriksen, J. J.; Matthews, D. A.; Jørgensen, P.; Gauss, J.: Assessment of the Accuracy of Coupled Cluster Perturbation Theory for Open-Shell Systems. II. Quadruples Expansions.

12. Eriksen, J. J.; Matthews, D. A.; Jørgensen, P.; Gauss, J.: Assessment of the Accuracy of Coupled Cluster Perturbation Theory for Open-Shell Systems. I. Triples Expansions.

2015

11. Kristensen, K.; Ettenhuber, P.; Eriksen, J. J.; Jensen, F.; Jørgensen, P.: The Same Number of Optimized Parameters Scheme for Determining Intermolecular Interaction Energies.

10. Eriksen, J. J.; Baudin, P.; Ettenhuber, P.; Kristensen, K.; Kjærgaard, T.; Jørgensen, P.: Linear-Scaling Coupled Cluster with Perturbative Triple Excitations: The Divide-Expand-Consolidate CCSD(T) Model.

9. Eriksen, J. J.; Matthews, D. A.; Jørgensen, P.; Gauss, J.: Communication: The Performance of Non-Iterative Coupled Cluster Quadruples Models.

8. Eriksen, J. J.; Jørgensen, P.; Gauss, J.: On the Convergence of Perturbative Coupled Cluster Triples Expansions: Error Cancellations in the CCSD(T) Model and the Importance of Amplitude Relaxation.

2014

7. Eriksen, J. J.; Jørgensen, P.; Olsen, J.; Gauss, J.: Equation-of-Motion Coupled Cluster Perturbation Theory Revisited.

6. Eriksen, J. J.; Kristensen, K.; Kjærgaard, T.; Jørgensen, P.; Gauss, J.: A Lagrangian Framework for Deriving Triples and Quadruples Corrections to the CCSD Energy.

5. Aidas, K.; Angeli, C.; Bak, K. L.; Bakken, V.; Bast, R.; Boman, L.; Christiansen, O.; Cimiraglia, R.; Coriani, S.; Dahle, P.; Dalskov, E. K.; Ekström, U.; Enevoldsen, T.; Eriksen, J. J.; Ettenhuber, P.; Fernández, B.; Ferrighi, L.; Fliegl, H.; Frediani, L.; Hald, K.; Halkier, A.; Hättig, C.; Heiberg, H.; Helgaker, T.; Hennum, A. C.; Hettema, H.; Hjertenæs, E.; Høst, S.; Høyvik, I.-M.; Iozzi, M. F.; Jansik, B.; Jensen, H. J. Aa.; Jonsson, D.; Jørgensen, P.; Kauczor, J.; Kirpekar, S.; Kjærgaard, T.; Klopper, W.; Knecht, S.; Kobayashi, R.; Koch, H.; Kongsted, J.; Krapp, A.; Kristensen, K.; Ligabue, A.; Lutnæs, O. B.; Melo, J. I.; Mikkelsen, K. V.; Myhre, R. H.; Neiss, C.; Nielsen, C. B.; Norman, P.; Olsen, J.; Olsen, J. M. H.; Osted, A.; Packer, M. J.; Pawlowski, F.; Pedersen, T. B.; Provasi, P. F.; Reine, S.; Rinkevicius, Z.; Ruden, T. A.; Ruud, K.; Rybkin, V. V.; Salek, P.; Samson, C. C. M.; de Merás, A. S.; Saue, T.; Sauer, S. P. A.; Schimmelpfennig, B.; Sneskov, K.; Steindal, A. H.; Sylvester-Hvid, K. O.; Taylor, P. R.; Teale, A. M.; Tellgren, E. I.; Tew, D. P.; Thorvaldsen, A. J.; Thøgersen, L.; Vahtras, O.; Watson, M. A.; Wilson, D. J. D.; Ziolkowski, M.; Ågren, H.: The Dalton Quantum Chemistry Program System.

4. Eriksen, J. J.; Solanko, L. M.; Nåbo, L. J.; Wüstner, D.; Sauer, S. P. A..; Kongsted, J.: The Second-Order Polarization Propagator Approximation (SOPPA) Method Coupled to the Polarizable Continuum Model.

2013

3. Eriksen, J. J.; Sauer, S. P. A..; Mikkelsen, K. V.; Christiansen, O.; Jensen, H.-J. Aa.; Kongsted, J.: Failures of TDDFT in Describing the Lowest Intramolecular Charge-Transfer Excitation in para-Nitroaniline.

2012

2. Eriksen, J. J.; Sauer, S. P. A..; Mikkelsen, K. V.; Jensen, H.-J. Aa.; Kongsted, J.: On the Importance of Excited State Dynamic Response Electron Correlation in Polarizable Embedding Methods.

2011

1. Eriksen, J. J.; Olsen, J. M.; Aidas, K.; Ågren, H.; Mikkelsen, K. V.; Kongsted, J.: Computational Protocols for Prediction of Solute NMR Relative Chemical Shifts. A Case Study of L-Tryptophan in Aqueous Solution.

Miscellaneous (Not Peer-Reviewed)

2019

Eriksen, J. J.: Nomadic Tales, a Contributed Essay in C&EN Magazine on Postdoc Experiences.

2018

Gauss, J., Eriksen, J. J.: The Future of the Electron Correlation Problem: What About Full Configuration Interaction?

    • In Mathematical Methods in Quantum Chemistry, Oberwolfach Reports, 13/2018, DOI: 10.4171/OWR/2018/13

2015

NVIDIA Feature Article:

NVIDIA Case Study: