Roberto Di Remigio

UiT The Arctic University of Norway — Norway

Physics and Astronomy · Physical Sciences

15h-index2.8kcitations51works2.32yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Advanced Chemical Physics Studies(13), Spectroscopy and Quantum Chemical Studies(12), Catalysis and Oxidation Reactions(10), Advanced NMR Techniques and Applications(6), Machine Learning in Materials Science(5)

Publications51 total

Quantum-centric strong and dynamical electron correlation: A resource-efficient second-order $N$-electron valence perturbation theory formulation for near-term quantum devices
arXiv (Cornell University)·2024Open Access
<tt>VAMPyR</tt>—A high-level Python library for mathematical operations in a multiwavelet representation
The Journal of Chemical Physics·2024· 3 citedOpen Access
Full Breit Hamiltonian in the Multiwavelets Framework
Journal of Chemical Theory and Computation·2024· 4 citedOpen Access
Full Breit Hamiltonian in the Multiwavelets Framework
2023Open Access
4-component Relativistic Calculations in a Multiwavelet Basis with Improved Convergence
arXiv (Cornell University)·2023Open Access
Full Breit Hamiltonian in the Multiwavelets Framework
arXiv (Cornell University)·2023Open Access
Future Perspective for Core-Electron Spectroscopy:Breit Hamiltonian in the Multiwavelets Framework
2023Open Access
Cavity-Free Continuum Solvation: Implementation and Parametrization in a Multiwavelet Framework
Journal of Chemical Theory and Computation·2023· 6 citedOpen Access
MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties
Journal of Chemical Theory and Computation·2022· 23 citedOpen Access
Cavity-free continuum solvation: implementation and parametrization in a multiwavelet framework
arXiv (Cornell University)·2022Open Access
The MRChem multiresolution analysis code for molecular electronic structure calculations: performance and scaling properties
arXiv (Cornell University)·2022Open Access
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCE<scp>ngine</scp>): Automation and interoperability among computational chemistry programs
The Journal of Chemical Physics·2021· 41 citedOpen Access
Theory and implementation of a novel stochastic approach to coupled cluster
The Journal of Chemical Physics·2020· 9 citedOpen Access
Review for: "Open Chemistry, JupyterLab, REST, and Quantum Chemistry"
2020Open Access
Research Data Supporting "Theory and Implementation of a Novel Stochastic Approach to Coupled Cluster"
Zenodo (CERN European Organization for Nuclear Research)·2020Open Access
Research Data Supporting "Theory and Implementation of a Novel Stochastic Approach to Coupled Cluster"
Zenodo (CERN European Organization for Nuclear Research)·2020Open Access
Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
The Journal of Chemical Physics·2020· 82 citedOpen Access
P <scp>SI4</scp> 1.4: Open-source software for high-throughput quantum chemistry
The Journal of Chemical Physics·2020· 925 citedOpen Access
Dataset for the article "Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems"
Zenodo (CERN European Organization for Nuclear Research)·2020Open Access
Dataset for the article "Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems"
2020Open Access
page 1 of 3Next →

Frequent Co-authors

Luca Frediani(23), T. Daniel Crawford(15), Charles Scott(10), Alex J. W. Thom(9), Magnar Bjørgve(9), Stig Rune Jensen(9), Kenneth Ruud(7), Magnus Ringholm(6), Christian Tantardini(6), Lori A. Burns(5), Daniel G. A. Smith(5), Andrew C. Simmonett(5), Ashutosh Kumar(5), Henry F. Schaefer(5), Rollin A. King(5), Justin M. Turney(5), C. David Sherrill(5), Radovan Bast(5), Robert M. Parrish(4), A. Eugene DePrince(4)