RP
Ruth Pachter
cond-mat.mtrl-sciMolecular Dynamics Simulationcond-mat.mes-hallModels, Molecularphysics.opticsdensity functional theoryModels, Chemical2D materialsComputer Simulationdoping
On Valency
published · living versionsW_b37rygbz·v1 · currentpublished
Quantum 3xplorer: AI-Native Engine for Next-Generation Quantum Materials Modeling
with Vsevolod Biryukov, Sergey V. Barabash, Pranab Kumar Das, Jack Deslippe +10
1 version
Preprints & journals
92 papers in the corpus · 1985–2026Bitter taste TAS2R14 and TAS2R46 receptors bound to G proteins: comparison of cryo-EM, AlphaFold, and molecular dynamics structures.42247183 · Pachter, Ruth, Kim, Soo-Kyung, Xu, Yixin C et al.2026 · 0 citationsEuropean biophysics journal : EBJ. 2026;55(4):731-745
Density Functional Theory Calculations of Spin Polarization for Diradicals in Single-Molecule Junctions.41867554 · Nguyen, Kiet A, Pachter, Ruth2026 · 1 citationACS omega. 2026;11(10):15786-15794
Strong Raman Optical Activity and Chiral Phonons in Chiral Hybrid Organic-Inorganic Perovskites2508.20338v1 · Evan W. Muller, Aleksey Ruditskiy, Jie Jiang et al.2025 · 4 citationsarXiv
Contracted, Not Converted: Photoluminescence Thermochromism in Ultrabright Pure Blue Emissive Hybrid Copper(I) Halide.40772343 · Popy, Dilruba A, Loftus, Lauren M, Jiang, Jie et al.2025 · 6 citationsSmall (Weinheim an der Bergstrasse, Germany). 2025;21(38):e06916
Chiral Phonons and Anomalous Excitation-Energy-Dependent Raman Intensities in Layered AgCrP2Se6.40658752 · Rao, Rahul, Jiang, Jie, Pachter, Ruth et al.2026 · 6 citationsACS nano. 2025;19(29):26377-26387
Anomalous Raman scattering in layered AgCrPSe: Helical modes and excitation energy-dependent intensities2501.17565v1 · Rahul Rao, Jie Jiang, Ruth Pachter et al.2025 · 0 citationsarXiv
Electronic Structures and Spectra of Donor-Acceptor Conjugated Oligomers.39392140 · Nguyen, Kiet A, Pachter, Ruth, Loftus, Lauren M et al.2024 · 0 citationsThe journal of physical chemistry. A. 2024;128(42):9146-9158
Chirality-Induced Spin Selectivity: Analysis of Density Functional Theory Calculations.38888590 · Day, Paul N, Pachter, Ruth, Nguyen, Kiet A et al.2024 · 4 citationsJournal of chemical theory and computation. 2024;20(13):5475-5486
Structural and Physical Properties of Two Distinct 2D Lead Halides with Intercalated Cu(II).39308752 · Parashar, Kanika, Zhang, Zheng, Buturlim, Volodymyr et al.2025 · 8 citationsJournal of materials chemistry. C. 2024;12(25):9372-9384
Synthesis and Characterization of New Hybrid Organic-Inorganic Metal Halides [(CH3)3SO]M2I3 (M = Cu and Ag).38235735 · Pinky, Tamanna, Popy, Dilruba A, Zhang, Zheng et al.2024 · 18 citationsInorganic chemistry. 2024;63(4):2174-2184
Raman spectroscopy study of pressure-induced phase transitions in single crystal CuInP2S6.38084812 · Rao, Rahul, Conner, Benjamin S, Jiang, Jie et al.2023 · 31 citationsThe Journal of chemical physics. 2023;159(22)
Investigating strain between phase-segregated domains in Cu-deficient CuInP2S62305.15082v1 · Rahul Rao, Ryan Selhorst, Jie Jiang et al.2023 · 25 citationsarXiv
Effects of inter-radical interactions and scavenging radicals on magnetosensitivity: spin dynamics simulations of proposed radical pairs.36792823 · Hong, Gongyi, Pachter, Ruth2023 · 2 citationsEuropean biophysics journal : EBJ. 2023;52(1-2):27-37
Precision Modification of Monolayer Transition Metal Dichalcogenides via Environmental E-Beam Patterning.36689725 · Selhorst, Ryan, Yu, Zhuohang, Moore, David et al.2023 · 8 citationsACS nano. 2023;17(3):2958-2967
The effect of solvent on determining highest occupied molecular orbital energies of semiconducting organic molecules: Insight from a combined computational approach.36597937 · Kramer, Aaron, Pachter, Ruth, Hsu, Julia W P et al.2023 · 1 citationJournal of computational chemistry. 2023;44(10):1064-1072
Exfoliation procedure-dependent optical properties of solution deposited MoS2 films.38665486 · Busch, Robert T, Sun, Lirong, Austin, Drake et al.2024 · 34 citationsNPJ 2D materials and applications. 2023;7(1):12
Advances in modeling plasmonic systems.36414441 · Della Sala, Fabio, Pachter, Ruth, Sukharev, Maxim2022 · 10 citationsThe Journal of chemical physics. 2022;157(19):190401
Theoretical Investigation of the Electronic Spectra of Cadmium Chalcogenide 2D Nanoplatelets.36383147 · Nguyen, Kiet A, Pachter, Ruth, Day, Paul N2022 · 2 citationsThe journal of physical chemistry. A. 2022;126(47):8818-8825
Fano plasmonics goes nonlinear.36209020 · Sukharev, Maxim, Drobnyh, Elena, Pachter, Ruth2022 · 5 citationsThe Journal of chemical physics. 2022;157(13):134105
Analysis of localized excitons in strained monolayer WSe2 by first principles calculations.35899773 · Jiang, Jie, Pachter, Ruth2022 · 5 citationsNanoscale. 2022;14(31):11378-11387
Predicting Van der Waals Heterostructures by a Combined Machine Learning and Density Functional Theory Approach.35622945 · Willhelm, Daniel, Wilson, Nathan, Arroyave, Raymundo et al.2022 · 43 citationsACS applied materials & interfaces. 2022;14(22):25907-25919
Calculated linear and nonlinear optical absorption spectra of phosphine-ligated gold clusters.35481489 · Day, Paul N, Pachter, Ruth, Nguyen, Kiet A2022 · 4 citationsPhysical chemistry chemical physics : PCCP. 2022;24(18):11234-11248
Computational analysis of the optical response of ZnSe with d-orbital defects.35226883 · Pike, Nicholas A, Pachter, Ruth, Martinez, Alan D et al.2022 · 5 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2022;34(20)
Electrical and chemical properties of vacancy-ordered lead free layered double perovskite nanoparticles.35171187 · Sawahreh, Amal, Binyamin, Tal, Jiang, Jie et al.2022 · 9 citationsNanoscale. 2022;14(9):3487-3495
Interstitial Nature of Mn2+ Doping in 2D Perovskites.34882393 · Torma, Andrew J, Li, Wenbin, Zhang, Hao et al.2021 · 63 citationsACS nano. 2021;15(12):20550-20561
Theoretical analysis of structures and electronic spectra of molecular colloidal cadmium sulfide clusters and nanoplatelets.34496584 · Nguyen, Kiet A, Pachter, Ruth, Day, Paul N2021 · 6 citationsThe Journal of chemical physics. 2021;155(9):094302
Two-dimensional MoS2 2H, 1T, and 1T' crystalline phases with incorporated adatoms: theoretical investigation of electronic and optical properties.34613214 · Mehmood, Faisal, Pachter, Ruth, Back, Tyson C et al.2021 · 19 citationsApplied optics. 2021;60(25):G232-G242
Surface Functionalization of Ti3C2Tx MXene Nanosheets with Catechols: Implication for Colloidal Processing.33929862 · Heckler, James E, Neher, Gregory R, Mehmood, Faisal et al.2021 · 66 citationsLangmuir : the ACS journal of surfaces and colloids. 2021;37(18):5447-5456
Halogen Etch of Ti3AlC2 MAX Phase for MXene Fabrication.33502839 · Jawaid, Ali, Hassan, Asra, Neher, Gregory et al.2021 · 373 citationsACS nano. 2021;15(2):2771-2777
Multi-modal Spectroscopic Study of Surface Termination Evolution in Cr2TiC2Tx MXene2101.01819v1 · James L. Hart, Kanit Hantanasirisakul, Andrew C. Lang et al.2021 · 4 citationsarXiv
Toward Architected Nanocomposites: MXenes and Beyond.33356122 · Nepal, Dhriti, Kennedy, W Joshua, Pachter, Ruth et al.2021 · 41 citationsACS nano. 2021;15(1):21-28
Systematic Study of the Properties of CdS Clusters with Carboxylate Ligands Using a Deep Neural Network Potential Developed with Data from Density Functional Theory Calculations.33271016 · Nguyen, Kiet A, Pachter, Ruth, Day, Paul N2020 · 14 citationsThe journal of physical chemistry. A. 2020;124(50):10472-10481
The Joint Automated Repository for Various Integrated Simulations (JARVIS) for data-driven materials design2007.01831v2 · Kamal Choudhary, Kevin F. Garrity, Andrew C. E. Reid et al.2020 · 569 citationsarXiv
Electron transfer and spin dynamics of the radical-pair in the cryptochrome from Chlamydomonas reinhardtii by computational analysis.32061221 · Hong, Gongyi, Pachter, Ruth, Essen, Lars-Oliver et al.2020 · 12 citationsThe Journal of chemical physics. 2020;152(6):065101
Computational Search for Magnetic and Non-magnetic 2D Topological Materials using Unified Spin-orbit Spillage Screening2001.11389v2 · Kamal Choudhary, Kevin F. Garrity, Jie Jiang et al.2020 · 48 citationsnpj Computational Materials, 6, 49 (2020)
Theoretical Prediction of Optical Absorption and Emission in Thiolated Gold Clusters.31283230 · Day, Paul N, Pachter, Ruth, Nguyen, Kiet A et al.2019 · 15 citationsThe journal of physical chemistry. A. 2019;123(30):6472-6481
Accelerated Discovery of Efficient Solar-cell Materials using Quantum and Machine-learning Methods.32165788 · Choudhary, Kamal, Bercx, Marnik, Jiang, Jie et al.2025 · 154 citationsChemistry of materials : a publication of the American Chemical Society. 2019;31(15)
Harmonic generation by metal nanostructures optically coupled to 2D transition metal dichalcogenide1812.09339v2 · Elena Drobnyh, Ruth Pachter, Maxim Sukharev2018 · 11 citationsarXiv
Systematic Study of Structure, Stability, and Electronic Absorption of Tetrahedral CdSe Clusters with Carboxylate and Amine Ligands.30040899 · Nguyen, Kiet A, Pachter, Ruth, Jiang, Jie et al.2018 · 18 citationsThe journal of physical chemistry. A. 2018;122(33):6704-6712
Tunability in the optical response of defective monolayer WSe2 by computational analysis.29993082 · Jiang, Jie, Pachter, Ruth, Mou, Shin2018 · 20 citationsNanoscale. 2018;10(28):13751-13760
Coupling Drosophila melanogaster Cryptochrome Light Activation and Oxidation of the Kvβ Subunit Hyperkinetic NADPH Cofactor.29847128 · Hong, Gongyi, Pachter, Ruth, Ritz, Thorsten2019 · 9 citationsThe journal of physical chemistry. B. 2018;122(25):6503-6510
Theoretical Analysis of Optical Absorption and Emission in Mixed Noble Metal Nanoclusters.29641901 · Day, Paul N, Pachter, Ruth, Nguyen, Kiet A2018 · 6 citationsThe journal of physical chemistry. A. 2018;122(16):4058-4066
Mechanistic Analysis of Oxygen Vacancy-Driven Conductive Filament Formation in Resistive Random Access Memory Metal/NiO/Metal Structures.29488379 · Yildirim, Handan, Pachter, Ruth2018 · 50 citationsACS applied materials & interfaces. 2018;10(11):9802-9816
Effects of exciton-plasmon strong coupling on third harmonic generation of WS2 monolayer at periodic plasmonic interfaces1712.06672v1 · Maxim Sukharev, Ruth Pachter2017 · 21 citationsarXiv
Describing a Strongly Correlated Model System with Density Functional Theory.28622472 · Kong, Jing, Proynov, Emil, Yu, Jianguo et al.2018 · 12 citationsThe journal of physical chemistry letters. 2017;8(13):3142-3146
Calculations of One- and Two-Photon Absorption Spectra for Molecular Metal Chalcogenide Clusters with Electron-Acceptor Ligands.28121144 · Nguyen, Kiet A, Pachter, Ruth, Day, Paul N2018 · 5 citationsThe journal of physical chemistry. A. 2017;121(8):1748-1759
A Theoretical Investigation of the Structure and Optical Properties of a Silver Cluster in Solid Form and in Solution.27959527 · Day, Paul N, Pachter, Ruth, Nguyen, Kiet A2018 · 8 citationsThe journal of physical chemistry. A. 2017;121(1):326-333
Bound Flavin-Cytochrome Model of Extracellular Electron Transfer in Shewanella oneidensis: Analysis by Free Energy Molecular Dynamics Simulations.27266856 · Hong, Gongyi, Pachter, Ruth2018 · 32 citationsThe journal of physical chemistry. B. 2016;120(25):5617-24
Theoretical analysis of the combined effects of sulfur vacancies and analyte adsorption on the electronic properties of single-layer MoS2.26999310 · Akdim, Brahim, Pachter, Ruth, Mou, Shin2016 · 61 citationsNanotechnology. 2016;27(18):185701
Linear and Nonlinear Optical Response in Silver Nanoclusters: Insight from a Computational Investigation.26730764 · Day, Paul N, Pachter, Ruth, Nguyen, Kiet A et al.2016 · 34 citationsThe journal of physical chemistry. A. 2016;120(4):507-18
Career total: 420 works. 92 are in this corpus.Showing the 50 most recent.
Profile built from the corpus for this byline.
Author records are still filling in while the Hub is in alpha. If this is your page, you'll be able to claim it soon. Spot a mistake? Tell us.