Search filters

List of works by Roberto Di Remigio

A polarizable continuum model for molecules at spherical diffuse interfaces.

scientific article published in March 2016

Combining frozen-density embedding with the conductor-like screening model using Lagrangian techniques for response properties

scientific article published on 17 May 2017

Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems

scientific article published on 01 June 2020

Diagrammatic Coupled Cluster Monte Carlo

scientific article published on 14 February 2019

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).

scientific article published on 16 December 2014

Four-component relativistic density functional theory with the polarisable continuum model: application to EPR parameters and paramagnetic NMR shifts

Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions

scientific article published on 17 June 2019

Open-ended formulation of self-consistent field response theory with the polarizable continuum model for solvation.

scientific article

Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

scientific article

Psi4 1.4: Open-source software for high-throughput quantum chemistry

scientific article published on 01 May 2020

The DIRAC code for relativistic molecular calculations

scientific article published on 01 May 2020

The HANDE-QMC Project: Open-Source Stochastic Quantum Chemistry from the Ground State Up

scientific article published on 18 February 2019

Theory and implementation of a novel stochastic approach to coupled cluster

scientific article published on 01 October 2020

Wavelet formulation of the polarizable continuum model. II. Use of piecewise bilinear boundary elements

scientific article published on 10 August 2015

Paulina is supported by:

About Paulina

Help