``Octopus, a Computational Framework for Exploring Light-driven Phenomena and Quantum Dynamics in Extended and Finite Systems,'' N. Tancogne-Dejean, M. J. T. Oliveira, X. Andrade, H. Appel, C. H. Borca, Breton. G. Le, F. Buchholz, A. Castro, S. Corni, A. A. Correa, Giovannini. U. De, A. Delgado, F. G. Bich, J. Flick, G. Gil, A. Gomez, N. Helbig, H. Hübener, R. Jestädt, J. Jornet-Somoza, A. H. Larsen, I. Lebedeva, M. Lüders, M. A. L. Marques, S. T. Ohlmann, S. Pipolo, M. Rampp, C. A. Rozzi, D. A. Strubbe, S. A. Sato, C. Schäfer, I. Theophilou, A. Welden, and A. Rubio, J. Chem. Phys. 152, 124119 (2020)
(doi: 10.1063/1.5142502)
``Molecular Dynamics of a Water-Absorbent Nanoscale Material Based On Chitosan,'' C. H. Borca and C. A. Arango, J. Phys. Chem. B 120, 3754-3764 (2016)
(doi: 10.1021/acs.jpcb.5b11230)
``Domain Separation in Density Functional Theory,'' M. A. Mosquera, L. O. Jones, C. H. Borca, M. A. Ratner, and G. C. Schatz, J. Phys. Chem. A 123, 4785-4795 (2019)
(doi: 10.1021/acs.jpca.9b01173)
``Ground-State Charge Transfer: Lithium-Benzene and the Role of Hartree-Fock Exchange,'' C. H. Borca, L. V. Slipchenko, and A. Wasserman, J. Phys. Chem. A 120, 8190-8198 (2016)
(doi: 10.1021/acs.jpca.6b09014)
``Connection Between Hybrid Functionals and Importance of the Local Density Approximation,'' M. A. Mosquera, C. H. Borca, M. A. Ratner, and G. C. Schatz, J. Phys. Chem. A 120, 1605-1612 (2016)
(doi: 10.1021/acs.jpca.5b10864)
``CrystaLattE: Automated Computation of Lattice Energies of Organic Crystals Exploiting the Many-Body Expansion to Achieve Dual-Level Parallelism,'' C. H. Borca, B. W. Bakr, L. A. Burns, and C. D. Sherrill, J. Chem. Phys. 151, 144103 (2019)
(doi: 10.1063/1.5120520)
``Morphology of Organic Semiconductors Electrically Doped From Solution Using Phosphomolybdic Acid,'' T.-Y. Huang, F. A. Larrain, C. H. Borca, C. Fuentes-Hernandez, H. Yan, S. A. Schneider, W.-F. Chou, V. A. Rodriguez-Toro, H.-G. Steinrück, C. Cao, C. D. Sherrill, B. Kippelen, and M. F. Toney, Chem. Mater. 31, 6677-6683 (2019)
(doi: 10.1021/acs.chemmater.9b01069)
|