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Roberto Di Remigio

city university of new york (cuny) system

16H-index
51Paper Count
2.8KCitation Count
Published Papers 14
Publication Date
VAMPyR -A high-level Python library for mathematical operations in a multiwavelet representation
err2024-09-06
err3
errOAAI
errBjorgve, Magnar; Tantardini, Christian; Jensen, Stig Rune; Gerez, S. Gabriel A.; Wind, Peter; Eikas, Roberto Di Remigio; Dinvay, Evgueni; Frediani, Luca
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Full Breit Hamiltonian in the Multiwavelets Framework
err2024-01-01
err4
errOAAI
errTantardini, Christian; Di Remigio Eikas, Roberto; Bjorgve, Magnar; Jensen, Stig Rune; Frediani, Luca
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Cavity-Free Continuum Solvation: Implementation and Parametrization in a Multiwavelet Framework
err2023-03-18
err2
errOAAI
errGerez, Gabriel A. S.; Eikas, Roberto Di Remigio; Jensen, Stig Rune; Bjorgve, Magnar; Frediani, Luca
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Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs
err2021-11-22
err29
errOAAI
errSmith, Daniel G. A.; Lolinco, Annabelle T.; Glick, Zachary L.; Lee, Jiyoung; Alenaizan, Asem; Barnes, Taylor A.; Borca, Carlos H.; Di Remigio, Roberto; Dotson, David L.; Ehlert, Sebastian; Heide, Alexander G.; Herbst, Michael F.; Hermann, Jan; Hicks, Colton B.; Horton, Joshua T.; Hurtado, Adrian G.; Kraus, Peter; Kruse, Holger; Lee, Sebastian J. R.; Misiewicz, Jonathon P.; Naden, Levi N.; Ramezanghorbani, Farhad; Scheurer, Maximilian; Schriber, Jeffrey B.; Simmonett, Andrew C.; Steinmetzer, Johannes; Wagner, Jeffrey R.; Ward, Logan; Welborn, Matthew; Altarawy, Doaa; Anwar, Jamshed; Chodera, John D.; Dreuw, Andreas; Kulik, Heather J.; Liu, Fang; Martinez, Todd J.; Matthews, Devin A.; Schaefer, Henry F., III; Sponer, Jiri; Turney, Justin M.; Wang, Lee-Ping; De Silva, Nuwan; King, Rollin A.; Stanton, John F.; Gordon, Mark S.; Windus, Theresa L.; Sherrill, C. David; Burns, Lori A.
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Theory and implementation of a novel stochastic approach to coupled cluster
err2020-10-14
err6
errOAAI
errScott, Charles J. C.; Di Remigio, Roberto; Crawford, T. Daniel; Thom, Alex J. W.
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Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
err2020-06-05
err53
errOAAI
errOlsen, Jogvan Magnus Haugaard; Reine, Simen; Vahtras, Olav; Kjellgren, Erik; Reinholdt, Peter; Dundas, Karen Oda Hjorth; Li, Xin; Cukras, Janusz; Ringholm, Magnus; Hedegard, Erik D.; Di Remigio, Roberto; List, Nanna H.; Faber, Rasmus; Tenorio, Bruno Nunes Cabral; Bast, Radovan; Pedersen, Thomas Bondo; Rinkevicius, Zilvinas; Sauer, Stephan P. A.; Mikkelsen, Kurt V.; Kongsted, Jacob; Coriani, Sonia; Ruud, Kenneth; Helgaker, Trygve; Jensen, Hans Jorgen Aa.; Norman, Patrick
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The DIRAC code for relativistic molecular calculations
err2020-05-26
err252
errOAAI
errSaue, Trond; Bast, Radovan; Gomes, Andre Severo Pereira; Jensen, Hans Jorgen Aa; Visscher, Lucas; Aucar, Ignacio Agustin; Di Remigio, Roberto; Dyall, Kenneth G.; Eliav, Ephraim; Fasshauer, Elke; Fleig, Timo; Halbert, Loic; Hedegard, Erik Donovan; Helmich-Paris, Benjamin; Ilias, Miroslav; Jacob, Christoph R.; Knecht, Stefan; Laerdahl, Jon K.; Vidal, Marta L.; Nayak, Malaya K.; Olejniczak, Malgorzata; Olsen, Jogvan Magnus Haugaard; Pernpointner, Markus; Senjean, Bruno; Shee, Avijit; Sunaga, Ayaki; van Stralen, Joost N. P.
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PSI4 1.4: Open-source software for high-throughput quantum chemistry
err2020-05-13
err684
errOAAI
errSmith, Daniel G. A.; Burns, Lori A.; Simmonett, Andrew C.; Parrish, Robert M.; Schieber, Matthew C.; Galvelis, Raimondas; Kraus, Peter; Kruse, Holger; Di Remigio, Roberto; Alenaizan, Asem; James, Andrew M.; Lehtola, Susi; Misiewicz, Jonathon P.; Scheurer, Maximilian; Shaw, Robert A.; Schriber, Jeffrey B.; Xie, Yi; Glick, Zachary L.; Sirianni, Dominic A.; O'Brien, Joseph Senan; Waldrop, Jonathan M.; Kumar, Ashutosh; Hohenstein, Edward G.; Pritchard, Benjamin P.; Brooks, Bernard R.; Schaefer, Henry F., III; Sokolov, Alexander Yu.; Patkowski, Konrad; DePrince, A. Eugene, III; Bozkaya, Ugur; King, Rollin A.; Evangelista, Francesco A.; Turney, Justin M.; Crawford, T. Daniel; Sherrill, C. David
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Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions
err2019-06-05
err27
errOAAI
errDi Remigio, Roberto; Giovannini, Tommaso; Ambrosetti, Matteo; Cappelli, Chiara; Frediani, Luca
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The HANDE-QMC Project: Open-Source Stochastic Quantum Chemistry from the Ground State Up
err2019-01-25
err43
errOAAI
errSpencer, James S.; Blunt, Nick S.; Choi, Seonhoon; Etrych, Jiri; Filip, Maria-Andreea; Foulkes, W. M. C.; Franklin, Ruth S. T.; Handley, Will J.; Malone, Fionn D.; Neufeld, Verena A.; Di Remigio, Roberto; Rogers, Thomas W.; Scott, Charles J. C.; Shepherd, James J.; Vigor, William A.; Weston, Joseph; Xu, RuQing; Thom, Alex J. W.
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Reduced-scaling coupled cluster response theory: Challenges and opportunities
err2019-01-08
err28
PREAI
errCrawford, T. Daniel; Kumar, Ashutosh; Bazante, Alexandre P.; Di Remigio, Roberto
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PSI4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
err2017-06-06
err1.1K
errOAAI
errParrish, Robert M.; Burns, Lori A.; Smith, Daniel G. A.; Simmonett, Andrew C.; DePrince, A. Eugene, III; Hohenstein, Edward G.; Bozkaya, Ugur; Sokolov, Alexander Yu.; Di Remigio, Roberto; Richard, Ryan M.; Gonthier, Jerome F.; James, Andrew M.; McAlexander, Harley R.; Kumar, Ashutosh; Saitow, Masaaki; Wang, Xiao; Pritchard, Benjamin P.; Prakash, Verma; Schaefer, Henry F., III; Patkowski, Konrad; King, Rollin A.; Valeev, Edward F.; Evangelista, Francesco A.; Turney, Justin M.; Crawford, T. Daniel; Sherrill, C. David
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Combining frozen-density embedding with the conductor-like screening model using Lagrangian techniques for response properties
err2017-05-17
err8
PREAI
errSchieschke, Nils; Di Remigio, Roberto; Frediani, Luca; Heuser, Johannes; Hoefener, Sebastian
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A polarizable continuum model for molecules at spherical diffuse interfaces
err2016-03-22
err9
errOAAI
errDi Remigio, Roberto; Mozgawa, Krzysztof; Cao, Hui; Weijo, Ville; Frediani, Luca
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