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C

Christoph Riplinger

faccts gmbh

32H-index
69Paper Count
1.4WCitation Count
Published Papers 42
Publication Date
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Local Energy Decomposition of Intramolecular Interactions: The CovaLED Approach and Its Application to Molecular Recognition in Biomolecular Assemblies
errACS Central Science
IF10.4
err2026-05-27
err0
errOAAI
errMartina Colucci; Christoph Riplinger; Ahmet Altun; Frank Neese; Giovanni Bistoni
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ORCA Meets Python─The ORCA Python Interface OPI
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-26
err0
errOAAI
errTim Tetenberg; Hagen Neugebauer; Christoph Plett; Nakul Santhosh; Markus Bursch; Christoph Riplinger
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A comprehensive approach to incorporating intermolecular dispersion into the openCOSMO-RS model. Part 2: Atomic polarizabilities
errChemical Engineering Science
IF4.3
err2025-07-09
err0
errOAAI
errDaria Grigorash; Simon Müller; Esther Heid; Frank Neese; Dimitrios G. Liakos; Christoph Riplinger; Miquel Garcia-Ratés; Patrice Paricaud; Erling H. Stenby; Irina Smirnova; Wei Yan
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Analytical First Derivatives of the SCF Energy for the Conductor-Like Polarizable Continuum Model With Non-Static Radii
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2025-04-24
err0
errOAAI
errWittmann, Lukas; Garcia-Rates, Miquel; Riplinger, Christoph
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Exploring the Accuracy Limits of PNO-Based Local Coupled-Cluster Calculations for Transition-Metal Complexes
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-03-14
err12
errOAAI
errAltun, Ahmet; Riplinger, Christoph; Neese, Frank; Bistoni, Giovanni
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Quantum computing in pharma: A multilayer embedding approach for near future applications
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2022-07-05
err13
errOAAI
errIzsak, Robert; Riplinger, Christoph; Blunt, Nick S.; de Souza, Bernardo; Holzmann, Nicole; Crawford, Ophelia; Camps, Joan; Neese, Frank; Schopf, Patrick
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High Level Electronic Structure Calculation of Molecular Solid-State NMR Shielding Constants
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-03-30
err9
errOAAI
errPoidevin, Corentin; Stoychev, Georgi L.; Riplinger, Christoph; Auer, Alexander A.
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Nudged Elastic Band Method for Molecular Reactions Using Energy-Weighted Springs Combined with Eigenvector Following
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-07-18
err215
PREAI
errAsgeirsson, Vilhjalmur; Birgisson, Benedikt Orri; Bjornsson, Ragnar; Becker, Ute; Neese, Frank; Riplinger, Christoph; Jonsson, Hannes
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Efficient EOM-CC-based Protocol for the Calculation of Electron Affinity of Solvated Nucleobases: Uracil as a Case Study
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-12-30
err19
PREAI
errMukherjee, Madhubani; Tripathi, Divya; Brehm, Martin; Riplinger, Christoph; Dutta, Achintya Kumar
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Unraveling individual host-guest interactions in molecular recognition from first principles quantum mechanics: Insights into the nature of nicotinic acetylcholine receptor agonist binding
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2020-11-24
err16
errOAAI
errBeck, Michael Edmund; Riplinger, Christoph; Neese, Frank; Bistoni, Giovanni
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A binding mode hypothesis for prothioconazole binding to CYP51 derived from first principles quantum chemistry
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2020-07-08
err4
PREAI
errBeck, Michael Edmund; Negroni, Jacopo; Matthiesen, Svend; Kohnen, Michael; Riplinger, Christoph
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errSave
The ORCA quantum chemistry program package
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-06-12
err3.0K
errOAAI
errNeese, Frank; Wennmohs, Frank; Becker, Ute; Riplinger, Christoph
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Detailed Pair Natural Orbital-Based Coupled Cluster Studies of Spin Crossover Energetics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-03-20
err67
errOAAI
errFloeser, Benedikt M.; Guo, Yang; Riplinger, Christoph; Tuczek, Felix; Neese, Frank
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errSave
Linear scaling perturbative triples correction approximations for open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory [DLPNO-CCSD(T0/T)]
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-01-10
err67
PREAI
errGuo, Yang; Riplinger, Christoph; Liakos, Dimitrios G.; Becker, Ute; Saitow, Masaaki; Neese, Frank
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Multilayer Approach to the IP-EOM-DLPNO-CCSD Method: Theory, Implementation, and Application
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-03-12
err25
PREAI
errHaldar, Soumi; Riplinger, Christoph; Demoulin, Baptiste; Neese, Frank; Izsak, Robert; Dutta, Achintya Kumar
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A nearlinear scaling equation of motion coupled cluster method for ionized states
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-06-22
err61
PREAI
errDutta, Achintya Kumar; Saitow, Masaaki; Riplinger, Christoph; Neese, Frank; Izsak, Robert
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errSave
NAMD goes quantum: an integrative suite for hybrid simulations
errNATURE METHODS
IF32.1
err2018-03-26
err159
errOAAI
errMelo, Marcelo C. R.; Bernardi, Rafael C.; Rudack, Till; Scheurer, Maximilian; Riplinger, Christoph; Phillips, James C.; Maia, Julio D. C.; Rocha, Gerd B.; Ribeiro, Joao V.; Stone, John E.; Neese, Frank; Schulten, Klaus; Luthey-Schulten, Zaida
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Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)]
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-01-04
err550
errOAAI
errGuo, Yang; Riplinger, Christoph; Becker, Ute; Liakos, Dimitrios G.; Minenkov, Yury; Cavallo, Luigi; Neese, Frank
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Treating Subvalence Correlation Effects in Domain Based Pair Natural Orbital Coupled Cluster Calculations: An Out-of-the-Box Approach
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-06-27
err56
errOAAI
errBistoni, Giovanni; Riplinger, Christoph; Minenkov, Yury; Cavallo, Luigi; Auer, Alexander A.; Neese, Frank
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errSave
Multilevel Approaches within the Local Pair Natural Orbital Framework
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-06-26
err42
PREAI
errSparta, Manuel; Retegan, Marius; Pinski, Peter; Riplinger, Christoph; Becker, Ute; Neese, Frank
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Research Directions

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Co-authors
Cooperation Journals
K
Klaus Schulten
H-index: 145 · Papers: 718
F
Frank Neese
H-index: 141 · Papers: 980
L
Luigi Cavallo
H-index: 112 · Papers: 1.2K
E
Emily A. Carter
H-index: 102 · Papers: 718
A
Andreas Daiber
H-index: 97 · Papers: 669
View more