Ruth Pachter - researchr alias

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Viewing Publication 1 - 19 from 19

2023

The effect of solvent on determining highest occupied molecular orbital energies of semiconducting organic molecules: Insight from a combined computational approachAaron Kramer, Ruth Pachter, Julia W. P. Hsu, William G. Vandenberghe. jcc, 44(10):1064-1072, 2023. [doi]

2018

Mechanistic Analysis of Oxygen Vacancy Driven Conductive Filament Formation in Resistive Random Access Memory Metal/NiO/Metal StructuresHandan Yildirim, Ruth Pachter. drc 2018: 1-2 [doi]

2013

A Density Functional Theory Investigation on the Properties of Supramolecular Catalysts for Photoinitiated Electron CollectionXiaofeng Duan, Ruth Pachter, Karen J. Brewer, Barry L. Farmer. iccs 2013: 779-786 [doi]

2008

A Density Functional Theory Study of Oxygen Adsorption at Silver Surfaces: Implications for NanotoxicityBrahim Akdim, Saber Hussain, Ruth Pachter. iccS 2008: 353-359 [doi]

2006

Effects of O::3:: Adsorption on the Emission Properties of Single-Wall Carbon Nanotubes: A Density Functional Theory StudyBrahim Akdim, T. Kar, D. A. Shiffler, X. Duan, Ruth Pachter. iccS 2006: 372-378 [doi]

2004

Functionalization of Single-Wall Carbon Nanotubes: An Assessment of Computational MethodsBrahim Akdim, T. Kar, X. Duan, Ruth Pachter. iccS 2004: 260-267 [doi]

Halogenated Aliphatic Toxicity QSARs Employing Metabolite DescriptorsSteven Trohalaki, Ruth Pachter, Kevin T. Geiss, John M. Frazier. jcisd, 44(3):1186-1192, 2004. [doi]

2003

Protein Structure Prediction by Applying an Evolutionary AlgorithmRichard O. Day, Gary B. Lamont, Ruth Pachter. ipps 2003: 155 [doi]

2002

Analysis of fine granularity and building block sizes in the parallel fast messy GARichard O. Day, Jesse B. Zydallis, Gary B. Lamont, Ruth Pachter. cec 2002: 127-132 [doi]

2001

New Materials DesignJerry Boatz, Mark S. Gordon, Gregory A. Voth, Sharon Hammes-Schiffer, Ruth Pachter. iccS 2001: 1108-1116 [doi]

Linkage-learning genetic algorithm application to the protein structure prediction problemKarl R. Deerman, Gary B. Lamont, Ruth Pachter. SAC 2001: 333-339 [doi]

2000

Improved QSARs for Predictive Toxicology of Halogenated HydrocarbonsSteven Trohalaki, Eric M. Gifford, Ruth Pachter. CANDC, 24(3-4):421-427, 2000. [doi]

1999

Large Scale Molecular Dynamics Simulations with Fast Multipole ImplementationsZhiqiang Wang, James Lupo, Alan McKenney, Ruth Pachter. sc 1999: 56 [doi]

1997

1996

Hybrid genetic algorithms for polypeptide energy minimizationLaurence D. Merkle, Robert L. Gaulke, Gary B. Lamont, George H. Gates Jr., Ruth Pachter. SAC 1996: 305-311 [doi]

Hybrid Genetic Algorithms for Minimization of a Polypeptide Specific Energy ModelLaurence D. Merkle, Gary B. Lamont, George H. Gates Jr., Ruth Pachter. icec 1996: 396-400

1995

The design of chromophore containing biomoleculesRuth Pachter, Zhiqiang Wang, James A. Lupo, Steven B. Fairchild, Brian Sennett. dimacs 1996: 169-180

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