Publications by authors named "Ryan M Richard"

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Chemist: A Domain-Specific Language by Chemists for Chemists.
Jonathan M Waldrop, Wibe de Jong, Edward F Valeev, Theresa L Windus, Ryan M Richard

J Phys Chem A· August 2025

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CMaize: Simplifying inter-package modularity from the build up.
Zachery Crandall, Theresa L Windus, Ryan M Richard

J Chem Phys· March 2024

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A Perspective on Sustainable Computational Chemistry Software Development and Integration.
Rosa Di Felice, Maricris L Mayes, Ryan M Richard, David B Williams-Young, Garnet Kin-Lic Chan

J Chem Theory Comput· October 2023

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PluginPlay: Enabling exascale scientific software one module at a time.
Ryan M Richard, Kristopher Keipert, Jonathan Waldrop, Murat Keçeli, David Williams-Young

J Chem Phys· May 2023

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Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.
Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, Joonho Lee, Yuezhi Mao, Ryan M Richard

J Chem Phys· August 2021

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From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape.
Karol Kowalski, Raymond Bair, Nicholas P Bauman, Jeffery S Boschen, Eric J Bylaska, Ryan M Richard

Chem Rev· April 2021

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Understanding the Many-Body Basis Set Superposition Error: Beyond Boys and Bernardi.
Ryan M Richard, Brandon W Bakr, C David Sherrill

J Chem Theory Comput· May 2018

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Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability.
Robert M Parrish, Lori A Burns, Daniel G A Smith, Andrew C Simmonett, A Eugene DePrince, Ryan M Richard

J Chem Theory Comput· July 2017

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Correction to Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods.
O Dolgounitcheva, Manuel Díaz-Tinoco, V G Zakrzewski, Ryan M Richard, Noa Marom

J Chem Theory Comput· January 2017

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Understanding the many-body expansion for large systems. II. Accuracy considerations.
Ka Un Lao, Kuan-Yu Liu, Ryan M Richard, John M Herbert

J Chem Phys· April 2016

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Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods.
O Dolgounitcheva, Manuel Díaz-Tinoco, V G Zakrzewski, Ryan M Richard, Noa Marom

J Chem Theory Comput· February 2016

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Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules I. Reference Data at the CCSD(T) Complete Basis Set Limit.
Ryan M Richard, Michael S Marshall, O Dolgounitcheva, J V Ortiz, Jean-Luc Brédas

J Chem Theory Comput· February 2016

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Erratum: "Periodic boundary conditions for QM/MM calculations: Ewald summation for extended Gaussian basis sets" [J. Chem. Phys. 139, 244108 (2013)].
Zachary C Holden, Ryan M Richard, John M Herbert

J Chem Phys· February 2015

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Aiming for benchmark accuracy with the many-body expansion.
Ryan M Richard, Ka Un Lao, John M Herbert

Acc Chem Res· September 2014

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Understanding the many-body expansion for large systems. I. Precision considerations.
Ryan M Richard, Ka Un Lao, John M Herbert

J Chem Phys· July 2014

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Approaching the complete-basis limit with a truncated many-body expansion.
Ryan M Richard, Ka Un Lao, John M Herbert

J Chem Phys· December 2013

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Periodic boundary conditions for QM/MM calculations: Ewald summation for extended Gaussian basis sets.
Zachary C Holden, Ryan M Richard, John M Herbert

J Chem Phys· December 2013

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Achieving the CCSD(T) Basis-Set Limit in Sizable Molecular Clusters: Counterpoise Corrections for the Many-Body Expansion.
Ryan M Richard, Ka Un Lao, John M Herbert

J Phys Chem Lett· August 2013

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Many-Body Expansion with Overlapping Fragments: Analysis of Two Approaches.
Ryan M Richard, John M Herbert

J Chem Theory Comput· March 2013

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A generalized many-body expansion and a unified view of fragment-based methods in electronic structure theory.
Ryan M Richard, John M Herbert

J Chem Phys· August 2012

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Time-Dependent Density-Functional Description of the (1)La State in Polycyclic Aromatic Hydrocarbons: Charge-Transfer Character in Disguise?
Ryan M Richard, John M Herbert

J Chem Theory Comput· May 2011

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Density functional calculations on the thermodynamic properties of a series of nitrosocubanes having the formula C8H8-x(NO)x)x=1-8.
Ryan M Richard, David W Ball

J Hazard Mater· May 2009

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B3LYP calculations on the thermodynamic properties of a series of nitroxycubanes having the formula C8H8-x(NO3)(x) x=1-8.
Ryan M Richard, David W Ball

J Hazard Mater· May 2009

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Ab initio calculations on the thermodynamic properties of azaborospiropentanes.
Ryan M Richard, David W Ball

J Mol Model· September 2008

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Ab initio calculations on the thermodynamic properties of azaspiropentanes.
Ryan M Richard, David W Ball

J Phys Chem A· March 2008

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