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Other IDs

ResearcherID: I-8811-2019
Scopus Author ID: 56674618700

Countries

Norway, Sweden

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Employment (5)

Algorithmiq Ltd: Helsinki, FI

2022-09-01 to present | Lead Softwar Engineer (Research and Development)
Employment
Source: Self-asserted source
Roberto Di Remigio Eikås

EuroCC National Competence Centre Sweden: Stockholm, SE

2020-09-01 to 2022-08-31 | Research software engineer
Employment
Source: Self-asserted source
Roberto Di Remigio Eikås

UiT Norges arktiske universitet: Tromsø, NO

2017-09-01 to 2020-08-31 | Postdoctoral fellow (Hylleraas Centre for Quantum Molecular Sciences)
Employment
Source: Self-asserted source
Roberto Di Remigio Eikås

UiT Norges arktiske universitet: Tromsø, NO

2017-02-01 to 2017-05-31 (Centre for Theoretical and Computational Chemistry)
Employment
Source: Self-asserted source
Roberto Di Remigio Eikås

UiT Norges arktiske universitet: Tromso, Troms, NO

2013-02-01 to 2017-01-31 | Ph.D. Student (Centre for Theoretical and Computational Chemistry)
Employment
Source: Self-asserted source
Roberto Di Remigio Eikås

Education and qualifications (3)

UiT Norges arktiske universitet: Tromso, Troms, NO

2013-02-01 to 2017-01-16 | Ph.D. (Centre for Theoretical and Computational Chemistry)
Education
Source: Self-asserted source
Roberto Di Remigio Eikås

Università degli Studi di Pisa: Pisa, Toscana, IT

2010-09-29 to 2012-09-21 | M.Sc. (Dipartimento di Chimica e Chimica Industriale)
Education
Source: Self-asserted source
Roberto Di Remigio Eikås

Università degli Studi di Pisa: Pisa, Toscana, IT

2007-09-25 to 2010-09-28 | B.Sc. (Dipartimento di Chimica e Chimica Industriale)
Education
Source: Self-asserted source
Roberto Di Remigio Eikås

Funding (1)

Stochastic Methods for Molecular Chiroptical Properties

2017-09-01 to 2020-09-01 | Grant
The Research Council of Norway (Oslo, NO)
URL: https://grants.uberresearch.com/501100005416/261873/Stochastic-Methods-for-Molecular-Chiroptical-Properties
GRANT_NUMBER: grant.261873
Source: Self-asserted source
Roberto Di Remigio Eikås via DimensionsWizard

Works (23)

VAMPyR—A high-level Python library for mathematical operations in a multiwavelet representation

The Journal of Chemical Physics
2024-04-28 | Journal article
DOI: 10.1063/5.0203401
Contributors: Magnar Bjørgve; Christian Tantardini; Stig Rune Jensen; Gabriel A. Gerez S.; Peter Wind; Roberto Di Remigio Eikås; Evgueni Dinvay; Luca Frediani
Source: check_circle
Crossref

Cavity-Free Continuum Solvation: Implementation and Parametrization in a Multiwavelet Framework

Journal of Chemical Theory and Computation
2023-04-11 | Journal article
DOI: 10.1021/acs.jctc.2c01098
Contributors: Gabriel A. Gerez S; Roberto Di Remigio Eikås; Stig Rune Jensen; Magnar Bjørgve; Luca Frediani
Source: check_circle
Crossref

MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties

Journal of Chemical Theory and Computation
2023-01-10 | Journal article
DOI: 10.1021/acs.jctc.2c00982
Part of ISSN: 1549-9618
Part of ISSN: 1549-9626
Contributors: Peter Wind; Magnar Bjørgve; Anders Brakestad; Gabriel A. Gerez S.; Stig Rune Jensen; Roberto Di Remigio Eikås; Luca Frediani
Source: Self-asserted source
Roberto Di Remigio Eikås

Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs

The Journal of Chemical Physics
2021-11-28 | Journal article
DOI: 10.1063/5.0059356
Contributors: Daniel G. A. Smith; Annabelle T. Lolinco; Zachary L. Glick; Jiyoung Lee; Asem Alenaizan; Taylor A. Barnes; Carlos H. Borca; Roberto Di Remigio; David L. Dotson; Sebastian Ehlert et al.
Source: check_circle
Crossref

Theory and implementation of a novel stochastic approach to coupled cluster

The Journal of Chemical Physics
2020-10-14 | Journal article
DOI: 10.1063/5.0026513
Contributors: Charles J. C. Scott; Roberto Di Remigio; T. Daniel Crawford; Alex J. W. Thom
Source: check_circle
Crossref

Review for: "Open Chemistry, JupyterLab, REST, and Quantum Chemistry"

2020-09-02 | Other
DOI: 10.22541/au.159906594.42729025
Contributors: Roberto Di Remigio
Source: check_circle
Crossref

The DIRAC code for relativistic molecular calculations

The Journal of Chemical Physics
2020-05-29 | Journal article
DOI: 10.1063/5.0004844
Contributors: Trond Saue; Radovan Bast; André Severo Pereira Gomes; Hans Jørgen Aa. Jensen; Lucas Visscher; Ignacio Agustín Aucar; Roberto Di Remigio; Kenneth G. Dyall; Ephraim Eliav; Elke Fasshauer et al.
Source: check_circle
Crossref

PSI4 1.4: Open-source software for high-throughput quantum chemistry

The Journal of Chemical Physics
2020-05-14 | Journal article
DOI: 10.1063/5.0006002
Contributors: Daniel G. A. Smith; Lori A. Burns; Andrew C. Simmonett; Robert M. Parrish; Matthew C. Schieber; Raimondas Galvelis; Peter Kraus; Holger Kruse; Roberto Di Remigio; Asem Alenaizan et al.
Source: check_circle
Crossref

Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry

2020-03-05 | Other
DOI: 10.26434/chemrxiv.11930031
Contributors: Daniel Smith; Lori Burns; Andrew Simmonett; Robert Parrish; Matthew Schieber; Raimondas Galvelis; Peter Kraus; Holger Kruse; Roberto Di Remigio; Asem Alenaizan et al.
Source: check_circle
Crossref
grade
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Reduced-scaling coupled cluster response theory: Challenges and opportunities

Wiley Interdisciplinary Reviews: Computational Molecular Science
2019 | Journal article
DOI: 10.1002/wcms.1406
EID:

2-s2.0-85059734729
Contributors: Crawford, T.D.; Kumar, A.; Bazanté, A.P.; Di Remigio, R.
Source: Self-asserted source
Roberto Di Remigio Eikås via Scopus - Elsevier
grade
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Tensor representations and symmetry in many-electron wave functions

Annual Reports in Computational Chemistry
2019 | Book chapter
DOI: 10.1016/bs.arcc.2019.08.005
EID:

2-s2.0-85073574192
Contributors: Crawford, T.D.; Di Remigio, R.
Source: Self-asserted source
Roberto Di Remigio Eikås via Scopus - Elsevier

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

Journal of Chemical Theory and Computation
2019-07-09 | Journal article
DOI: 10.1021/acs.jctc.9b00305
Contributors: Roberto Di Remigio; Tommaso Giovannini; Matteo Ambrosetti; Chiara Cappelli; Luca Frediani
Source: check_circle
Crossref
grade
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Diagrammatic Coupled Cluster Monte Carlo

The Journal of Physical Chemistry Letters
2019-03-07 | Journal article
DOI: 10.1021/acs.jpclett.9b00067
Contributors: Charles J. C. Scott; Roberto Di Remigio; T. Daniel Crawford; Alex J. W. Thom
Source: check_circle
Crossref
grade
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The HANDE-QMC Project: Open-Source Stochastic Quantum Chemistry from the Ground State Up

Journal of Chemical Theory and Computation
2019-02 | Journal article
DOI: 10.1021/acs.jctc.8b01217
Part of ISSN: 1549-9618
Contributors: James S. Spencer; Nick S. Blunt; Seonghoon Choi; Jiří Etrych; Maria-Andreea Filip; W. M. C. Foulkes; Ruth S. T. Franklin; Will J. Handley; Fionn D. Malone; Verena A. Neufeld et al.
Source: Self-asserted source
Roberto Di Remigio Eikås via Crossref Metadata Search
grade
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PCMSolver: An open-source library for solvation modeling

International Journal of Quantum Chemistry
2018-10 | Journal article
DOI: 10.1002/qua.25685
Part of ISSN: 0020-7608
Contributors: Roberto Di Remigio; Arnfinn Hykkerud Steindal; Krzysztof Mozgawa; Ville Weijo; Hui Cao; Luca Frediani
Source: Self-asserted source
Roberto Di Remigio Eikås via Crossref Metadata Search
grade
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CMake Cookbook: Building, testing, and packaging modular software with modern CMake

2018-09 | Book
ISBN: 9781788470711
Source: Self-asserted source
Roberto Di Remigio Eikås

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

Journal of Computational Chemistry
2017 | Journal article
DOI: 10.1002/jcc.24813
Source: Self-asserted source
Roberto Di Remigio Eikås
grade
Preferred source (of 3)‎

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

Phys. Chem. Chem. Phys.
2017 | Journal article
DOI: 10.1039/c6cp06814f
Contributors: Roberto Di Remigio; Maarten T. P. Beerepoot; Yann Cornaton; Magnus Ringholm; Arnfinn Hykkerud Steindal; Kenneth Ruud; Luca Frediani
Source: Self-asserted source
Roberto Di Remigio Eikås via Crossref Metadata Search
grade
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Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

Journal of Chemical Theory and Computation
2017-07-11 | Journal article
DOI: 10.1021/acs.jctc.7b00174
Contributors: Robert M. Parrish; Lori A. Burns; Daniel G. A. Smith; Andrew C. Simmonett; A. Eugene DePrince, III; Edward G. Hohenstein; Uğur Bozkaya; Alexander Yu. Sokolov; Roberto Di Remigio; Ryan M. Richard et al.
Source: check_circle
Crossref
grade
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Four-component relativistic density functional theory with the polarisable continuum model: application to EPR parameters and paramagnetic NMR shifts

Molecular Physics
2016-10 | Journal article
DOI: 10.1080/00268976.2016.1239846
Contributors: Roberto Di Remigio; Michal Repisky; Stanislav Komorovsky; Peter Hrobarik; Luca Frediani; Kenneth Ruud
Source: Self-asserted source
Roberto Di Remigio Eikås via Crossref Metadata Search
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A polarizable continuum model for molecules at spherical diffuse interfaces

The Journal of Chemical Physics
2016-03-28 | Journal article
DOI: 10.1063/1.4943782
Contributors: Roberto Di Remigio; Krzysztof Mozgawa; Hui Cao; Ville Weijo; Luca Frediani
Source: check_circle
Crossref
grade
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Wavelet formulation of the polarizable continuum model. II. Use of piecewise bilinear boundary elements

Phys. Chem. Chem. Phys.
2015 | Journal article
DOI: 10.1039/c5cp03410h
Contributors: Monica Bugeanu; Roberto Di Remigio; Krzysztof Mozgawa; Simen Sommerfelt Reine; Helmut Harbrecht; Luca Frediani
Source: Self-asserted source
Roberto Di Remigio Eikås via Crossref Metadata Search
grade
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Four-Component Relativistic Calculations in Solution with the Polarizable Continuum Model of Solvation: Theory, Implementation, and Application to the Group 16 Dihydrides H 2 X (X = O, S, Se, Te, Po)

J. Phys. Chem. A
2015-05 | Journal article
DOI: 10.1021/jp507279y
Contributors: Roberto Di Remigio; Radovan Bast; Luca Frediani; Trond Saue
Source: Self-asserted source
Roberto Di Remigio Eikås via Crossref Metadata Search
grade
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Peer review (32 reviews for 7 publications/grants)

Review activity for International journal of quantum chemistry. (1)
Review activity for Journal of chemical physics. (3)
Review activity for The journal of physical chemistry letters. (5)
Review activity for The journal of physical chemistry. (1)
Review activity for The journal of physical chemistry. (16)
Review activity for The journal of physical chemistry. (5)
Review activity for Theoretical Chemistry accounts. (1)
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