Roberto Di Remigio
Roberto Di Remigio
Hylleraas Centre for Quantum Molecular Sciences
Verified email at uit.no - Homepage
Title
Cited by
Cited by
Year
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
RM Parrish, LA Burns, DGA Smith, AC Simmonett, AE DePrince III, ...
Journal of chemical theory and computation 13 (7), 3185-3197, 2017
8052017
Psi4 1.4: Open-source software for high-throughput quantum chemistry
DGA Smith, LA Burns, AC Simmonett, RM Parrish, MC Schieber, ...
The Journal of Chemical Physics 152 (18), 184108, 2020
1152020
The DIRAC code for relativistic molecular calculations
T Saue, R Bast, ASP Gomes, HJA Jensen, L Visscher, IA Aucar, ...
The Journal of Chemical Physics 152 (20), 204104, 2020
672020
The HANDE-QMC project: open-source stochastic quantum chemistry from the ground state up
JS Spencer, NS Blunt, S Choi, J Etrych, MA Filip, WMC Foulkes, ...
Journal of chemical theory and computation 15 (3), 1728-1742, 2019
322019
Dalton Project: A Python platform for molecular-and electronic-structure simulations of complex systems
JMH Olsen, S Reine, O Vahtras, E Kjellgren, P Reinholdt, ...
The Journal of Chemical Physics 152 (21), 214115, 2020
222020
PCMSolver: an Open-Source Library for Solvation Modeling
R Di Remigio, AH Steindal, K Mozgawa, V Weijo, H Cao, L Frediani
arXiv preprint arXiv:1804.05895, 2018
162018
Four-Component Relativistic Calculations in Solution with the Polarizable Continuum Model of Solvation: Theory, Implementation, and Application to the Group 16 Dihydrides H2Xá…
RD Remigio, R Bast, L Frediani, T Saue
The Journal of Physical Chemistry A 119 (21), 5061-5077, 2014
162014
Diagrammatic Coupled Cluster Monte Carlo
CJC Scott, R Di Remigio, TD Crawford, AJW Thom
The journal of physical chemistry letters 10 (5), 925-935, 2019
152019
Four-component relativistic density functional theory with the polarisable continuum model: application to EPR parameters and paramagnetic NMR shifts
RD Remigio, M Repisky, S Komorovsky, P Hrobarik, L Frediani, K Ruud
Molecular Physics 115 (1-2), 214-227, 2017
142017
Fully polarizable QM/fluctuating charge approach to two-photon absorption of aqueous solutions
R Di Remigio, T Giovannini, M Ambrosetti, C Cappelli, L Frediani
Journal of chemical theory and computation 15 (7), 4056-4068, 2019
122019
Wavelet formulation of the polarizable continuum model. II. Use of piecewise bilinear boundary elements
M Bugeanu, R Di Remigio, K Mozgawa, SS Reine, H Harbrecht, ...
Physical Chemistry Chemical Physics 17 (47), 31566-31581, 2015
122015
A polarizable continuum model for molecules at spherical diffuse interfaces
R Di Remigio, K Mozgawa, H Cao, V Weijo, L Frediani
The Journal of chemical physics 144 (12), 124103, 2016
112016
Reduced‐scaling coupled cluster response theory: Challenges and opportunities
TD Crawford, A Kumar, AP BazantÚ, R Di Remigio
Wiley Interdisciplinary Reviews: Computational Molecular Science 9 (4), e1406, 2019
102019
Combining frozen‐density embedding with the conductor‐like screening model using Lagrangian techniques for response properties
N Schieschke, R Di Remigio, L Frediani, J Heuser, S H÷fener
Journal of computational chemistry 38 (19), 1693-1703, 2017
82017
Open-ended formulation of self-consistent field response theory with the polarizable continuum model for solvation
R Di Remigio, MTP Beerepoot, Y Cornaton, M Ringholm, AH Steindal, ...
Physical Chemistry Chemical Physics 19 (1), 366-379, 2017
42017
Theory and implementation of a novel stochastic approach to coupled cluster
CJC Scott, R Di Remigio, TD Crawford, AJW Thom
The Journal of Chemical Physics 153 (14), 144117, 2020
32020
Tensor representations and symmetry in many-electron wave functions
TD Crawford, R Di Remigio
Annual Reports in Computational Chemistry 15, 79-101, 2019
12019
Proceedings of the SC15 Workshop on Producing High Performance and Sustainable Software for Molecular Simulation
C Trott, TR Shan, S Moore, A Thompson, S Plimpton, M Höhnerbach, ...
University of Edinburgh, 2016
2016
Relativistic Quantum Chemistry and Polarizable Continuum Model. Theory and Implementation
R DI REMIGIO
2012
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Articles 1–19