Roberto Di Remigio Eikås
Magnar Bjørgve,
Christian Tantardini,
Stig Rune Jensen,
Gabriel Adolfo Gerez Sazo,
Peter Wind,
Roberto Di Remigio Eikås
et al.:
VAMPyR—A high-level Python library for mathematical operations in a multiwavelet representation
Christian Tantardini,
Roberto Di Remigio,
Magnar Bjørgve,
Stig Rune Jensen,
Luca Frediani
:
Full Breit Hamiltonian in the Multiwavelets Framework
Gabriel Adolfo Gerez Sazo,
Roberto Di Remigio Eikås,
Stig Rune Jensen,
Magnar Bjørgve,
Luca Frediani
:
Cavity-Free Continuum Solvation: Implementation and Parametrization in a Multiwavelet Framework
Daniel G. A. Smith,
Annabelle T. Lolinco,
Zachary L. Glick,
Jiyoung Lee,
Asem Alenaizan,
Taylor A. Barnes
et al.:
Quantum chemistry common driver and databases (QCDB) and quantum chemistry engine (QCengine): Automation and interoperability among computational chemistry programs
Journal of Chemical Physics 2021 DOI
Jógvan Magnus Haugaard Olsen,
Simen Sommerfelt Reine,
Olav Vahtras,
Erik Kjellgren,
Peter Reinholdt,
Karen O.H Dundas
et al.:
Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
Charles J. C. Scott,
Roberto Di Remigio,
T. Daniel Crawford,
Alex J. W. Thom
:
Theory and implementation of a novel stochastic approach to coupled cluster
Journal of Chemical Physics 2020 DOI
Daniel G A Smith,
Lori A. Burns,
Andrew C Simmonett,
Robert M Parrish,
Matthew C. Schieber,
Raimondas Galvelis
et al.:
PSI4 1.4: Open-source software for high throughput quantum chemistry
Journal of Chemical Physics 2020 DOI
Trond Saue,
Radovan Bast,
Andre Severo Pereira Gomes,
Hans-Jørgen Aa. Jensen,
Luuk Visscher,
Ignacio Agustín Aucar
et al.:
The DIRAC code for relativistic molecular calculations
Charles J. C. Scott,
Roberto Di Remigio,
T. Daniel Crawford,
Alex J. W. Thom
:
Diagrammatic Coupled Cluster Monte Carlo
Roberto Di Remigio,
Arnfinn Hykkerud Steindal,
Krzysztof Mozgawa,
Ville Weijo,
Hui Cao,
Luca Frediani
:
PCMSolver: An open‐source library for solvation modeling
Roberto Di Remigio,
Tommaso Giovannini,
Matteo Ambrosetti,
Chiara Cappelli,
Luca Frediani
:
Fully polarizable QM/fluctuating charge approach to two-photon absorption of aqueous solutions
James S. Spencer,
Nick S. Blunt,
Seonghoon Choi,
Jiri Etrych,
Maria-Andreea Filip,
W. M. C. Foulkes
et al.:
The HANDE-QMC Project: Open-Source Stochastic Quantum Chemistry from the Ground State Up
Journal of Chemical Theory and Computation 2019 DOI
T. Daniel Crawford,
Ashutosh Kumar,
Alexander P. Bazanté,
Roberto Di Remigio
:
Reduced-scaling coupled cluster response theory: Challenges and opportunities
Wiley Interdisciplinary Reviews. Computational Molecular Science 2019 DOI
Daniel Crawford,
Roberto Di Remigio
:
Tensor representations and symmetry in many-electron wave functions
Annual Reports in Computational Chemistry 2019 DOI
Roberto Di Remigio,
Michal Repisky,
Stanislav Komorovsky,
Peter Hrobárik,
Luca Frediani,
Kenneth Ruud
:
Four-component relativistic density functional theory with the polarisable continuum model: application to EPR parameters and paramagnetic NMR shifts
Robert M Parrish,
Lori A Burns,
Daniel G A Smith,
Andrew C Simmonett,
A Eugene DePrince,
Edward G Hohenstein
et al.:
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
Journal of Chemical Theory and Computation 2017 DOI
Nils Schieschke,
Roberto Di Remigio,
Luca Frediani,
Johannes Heuser,
Sebastian Höfener
:
Combining frozen-density embedding with the conductor-like screening model using Lagrangian techniques for response properties
Journal of Computational Chemistry 2017 DOI
Roberto Di Remigio,
Maarten Beerepoot,
Yann Cornaton,
Magnus Ringholm,
Arnfinn Hykkerud Steindal,
Kenneth Ruud
:
Open-ended formulation of self-consistent field response theory with the polarizable continuum model for solvation
Roberto Di Remigio,
Krzysztof Mozgawa,
Hui Cao,
Ville Weijo,
Luca Frediani
:
A polarizable continuum model for molecules at spherical diffuse interfaces
Roberto Di Remigio,
Radovan Bast,
Luca Frediani,
Trond Saue
:
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)
Monica Bugeanu,
Roberto Di Remigio,
Krzysztof Mozgawa,
Simen Sommerfelt Reine,
Helmut Harbrecht,
Luca Frediani
:
Wavelet formulation of the polarizable continuum model. II. Use of piecewise bilinear boundary elements
Radovan Bast,
Roberto Di Remigio
:
CMake Cookbook
2018
Peter Wind,
Magnar Bjørgve,
Anders Brakestad,
Gabriel Gerez,
Stig Rune Jensen,
Roberto Di Remigio
et al.:
MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties
Journal of Chemical Theory and Computation 2022 DOI
Roberto Di Remigio
:
Diagrammatic Coupled Cluster Monte Carlo
2019
Roberto Di Remigio
:
Reusable Components for Quantum Chemistry Software
2019
Roberto Di Remigio
:
The Nordic Quantum Chemistry Library Ecosystem
2018
Vibeke Os,
Roberto Di Remigio
:
Bruker farlig radioaktivt stoff som datamodell
01. Mar 2017 FULLTEKST
Roberto Di Remigio
:
PCMSolver: An Application Programming Interface for the Polarizable Continuum Model
2016
Roberto Di Remigio,
Luca Frediani
:
A modular implementation of the Polarizable Continuum Model for Solvation
2014
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