Publications of Dimitrios G. Liakos

Grigorash, D.; Müller, S.; Heid, E.; Neese, F.; Liakos, D. G.; Riplinger, C.; Garcia-Ratés, M.; Paricaud, P.; Stenby, E. H.; Smirnova, I.; Yan, W. A Comprehensive Approach to Incorporating Intermolecular Dispersion into the OpenCOSMO-RS Model. Part 2: Atomic Polarizabilities. Chemical Engineering Science 2026, 319, 122170.

Aldermann, O. L. G.; Benmore, C. J.; Feller, S.; Kamitsos, E. I.; Simandiras, E. D.; Liakos, D. G.; Jesuit, M.; Boyd, M.; Packard, M.; Weber, R. Short-Range Disorder in TeO₂ Melt and Glass. The Journal of Physical Chemistry Letters 2020, 11, 427–431.

Guo, Y.; Riplinger, C.; Liakos, D. G.; Becker, U.; Saitow, M.; Neese, F. Linear Scaling Perturbative Triples Correction Approximations for Open-Shell Domain-Based Local Pair Natural Orbital Coupled Cluster Singles and Doubles Theory [DLPNO-CCSD(T₀/T)]. The Journal of Chemical Physics 2020, 152, 024116.

Liakos, D. G.; Guo, Y.; Neese, F. Comprehensive Benchmark Results for the Domain Based Local Pair Natural Orbital Coupled Cluster Method (DLPNO-CCSD(T)) for Closed- and Open-Shell Systems. The Journal of Physical Chemistry A 2020, 124, 90–100.