1. Pre-exascale accelerated application development: The ORNL Summit experience

   Luo, L., Straatsma, T. P., Suarez, L. E. A., Broer, R., Bykov, D., D'Azevedo, E. F., Faraji, S. S., Gottiparthi, K. C., de Graaf, C., Harris, J. A., Havenith, R. W. A., Jensen, H. J. A., Joubert, W., Kathir, R. K., Larkin, J., Li, Y. W., Lyakh, D., Messer, O. E. B., Norman, M. R., Oefelein, J. C., Sankaran, R., Tillack, A. F., Barnes, A. L., Visscher, L., Wells, J. C. & Wibowo, M., 1-May-2020, In : Ibm journal of research and development. 64, 3-4, 21 p., 8960361.

   Research output: Contribution to journal › Article › Academic › peer-review

2. Two different mechanisms of stabilization of regular pi-stacks of radicals in switchable dithiazolyl-based materials

   Francese, T., Vela, S., Deumal, M., Mota, F., Novoa, J. J., Camellone, M. F., Fabris, S., Havenith, R. W. A., Broer, R. & Ribas-Arino, J., 28-Apr-2020, In : Journal of Materials Chemistry C. 8, 16, p. 5437-5448 12 p.

   Research output: Contribution to journal › Article › Academic › peer-review

3. Understanding Trends in Molecular Bond Angles

   Linker, G-J., van Duijnen, P. T. & Broer, R., 20-Feb-2020, In : Journal of Physical Chemistry A. 124, 7, p. 1306-1311 6 p.

   Research output: Contribution to journal › Article › Academic › peer-review

4. Reduced Common Molecular Orbital Basis for Nonorthogonal Configuration Interaction

   Kathir, R. K., de Graaf, C., Broer, R. & Havenith, R. W. A., 12-May-2020, In : Journal of Chemical Theory and Computation. 16, 5, p. 2941-2951 11 p.

   Research output: Contribution to journal › Article › Academic › peer-review

5. How Ethylene Glycol Chains Enhance the Dielectric Constant of Organic Semiconductors: Molecular Origin and Frequency Dependence

   Sami, S., Alessandri, R., Broer, R. & Havenith, R. W. A., 15-Apr-2020, In : ACS Applied Materials & Interfaces. 12, 15, p. 17795-17801 7 p.

   Research output: Contribution to journal › Article › Academic › peer-review

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