Peer-reviewed journal articles¶
- Four-Component Relativistic Calculations in Solution with the Polarizable Continuum Model of Solvation: Theory, Implementation, and Application to the Group 16 Dihydrides H2X (X = O, S, Se, Te, Po)
- Wavelet Formulation of the Polarizable Continuum Model. II. Use of Piecewise Bilinear Boundary Elements
- Four-Component Relativistic Density Functional Theory with the Polarizable Continuum Model: Application to EPR Parameters and Paramagnetic NMR Shifts
- Open-ended formulation of self-consistent field response theory with the polarizable continuum model for solvation
- Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
- Combining frozen-density embedding with the conductor-like screening model using Lagrangian techniques for response properties
- The Polarizable Continuum Model Goes Viral! Extensible, Modular and Sustainable Development of Quantum Mechanical Continuum Solvation Models Doctoral thesis, Roberto Di Remigio, January 2017.
- A modular implementation of the Polarizable Continuum Model for Solvation Presentation given by Roberto Di Remigio at the workshop in honour of professor Jacopo Tomasi’s 80th birthday. Pisa, August 31 - September 1 2014.
- The Polarizable Continuum Model Goes Viral! PhD defense, Roberto Di Remigio, January 16 2017.
- PCMSolver: a modern, modular approach to include solvation in any quantum chemistry code. Presentation given by Luca Frediani at WATOC 2017. Munich, August 27 - September 1 2017.
- Plug the solvent in your favorite QM program Presented by Luca Frediani at the 14th International Congress of Quantum Chemistry. Boulder, Colorado, June 25-30 2012.
- 4-Component Relativistic Calculations in Solution with the Polarizable Continuum Model of Solvation Presented by Roberto Di Remigio at the FemEx-Oslo conference. Oslo, June 13-16 2014.