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Computational methods for design of organic materials with high charge mobility

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inferred← citeshttps://doi.org/10.1007/s00894-014-2502-3openalex-snapshot

Understanding the effects of the number of pyrazines and their positions on charge-transport properties in silylethynylated N-heteropentacenes

inferred← citeshttps://doi.org/10.1007/s00894-015-2725-yopenalex-snapshot

Identifying efficient blue-phosphorescent polymer light-emitting diode host materials based on carbazole derivatives with C/Si-centered substituents using density functional theory

inferred← citeshttps://doi.org/10.1007/s00894-015-2743-9openalex-snapshot

Effect of donor strength of extended alkyl auxiliary groups on optoelectronic and charge transport properties of novel naphtha[2,1-b:6,5-b′]difuran derivatives: simple yet effective strategy

inferred← citeshttps://doi.org/10.1007/s00894-015-2885-9openalex-snapshot

Theoretical investigations on enhancing the performance of terminally diketopyrrolopyrrole-based small-molecular donors in organic solar cell applications

inferred← citeshttps://doi.org/10.1007/s00894-019-3953-3openalex-snapshot

Improving the theoretical description of charge transport in organic crystals

inferred← citeshttps://doi.org/10.1007/s00894-021-04784-3openalex-snapshot

Design of sensitizer with suitable frontier molecular orbital via substitution on starburst triphenylamine derivative

inferred← citeshttps://doi.org/10.1007/s00894-026-06659-xopenalex-snapshot

Theoretical and Experimental Investigation of Triphenylamine-Containing Hole Transport Materials with Side-Chain Isomerization

inferred← citeshttps://doi.org/10.1007/s10853-017-1810-2openalex-snapshot

Effects of thiophene substituents on hole-transporting properties of dipolar chromophores for perovskite solar cells

inferred← citeshttps://doi.org/10.1007/s10854-022-09074-zopenalex-snapshot

Deep-red iridium complex with alkyl-functionalized ligands for high-performance phosphorescent organic light-emitting diodes

inferred← citeshttps://doi.org/10.1007/s10854-026-16704-3openalex-snapshot

Synergistic role of ZnO and coordination polymers in enhancing the O2 sensitivity of [Ru(bpy)3]2+

inferred← citeshttps://doi.org/10.1007/s10895-025-04309-8openalex-snapshot

Impact of End-capped Acceptor Modification in Anthanthrone-Based D-π-A Type Donor Materials for Organic and as Hole Transporting Materials for Perovskite Solar Cells

inferred← citeshttps://doi.org/10.1007/s10895-025-04565-8openalex-snapshot

Optimizing Charge Transport Properties of Dithieno[3,2-b:2′,3′-d] Pyrrole-Based Hole Transport Materials for Perovskite Solar Cells: a DFT Study

inferred← citeshttps://doi.org/10.1007/s10895-026-04722-7openalex-snapshot

Theoretical Study on the Optoelectronics and Charge Transport Properties of Difluoro Benzothiadiazole-based Hole Transport Materials for Perovskite Solar Cells

inferred← citeshttps://doi.org/10.1007/s10895-026-04805-5openalex-snapshot

Rational Design of SFT-Based Hole Transport Materials with Diversified Terminal Acceptors for Efficient Perovskite Solar Cells: A DFT Study

inferred← citeshttps://doi.org/10.1007/s11426-009-0244-3openalex-snapshot

The role of acoustic phonon scattering in charge transport in organic semiconductors: a first-principles deformation-potential study

inferred← citeshttps://doi.org/10.1007/s11426-012-4738-zopenalex-snapshot

Theoretical study of the charge carrier mobilities of the molecular materials tetrathiafulvalene (TTF) and 2,5-bis(1,3-dithiolan-2-ylidene)-1,3,4,6-tetrathiapentalene (BDH-TTP)

inferred← citeshttps://doi.org/10.1007/s11426-012-4747-yopenalex-snapshot

Experimental and theoretical study of the charge transport property of 4,4′-N,N′-dicarbazole-biphenyl

inferred← citeshttps://doi.org/10.1007/s11426-012-4768-6openalex-snapshot

Crystal packing and charge transport in single crystals of chrysene derivatives: Impact of halogenation

inferred← citeshttps://doi.org/10.1007/s11434-012-5222-zopenalex-snapshot

Theoretical study of the effects of different substituents of tetrathiafulvalene derivatives on charge transport

inferred← citeshttps://doi.org/10.1007/s11434-012-5346-1openalex-snapshot

Bipolar charge transport property of N,N′-dicarbazolyl-1,4-dimethene-benzene: A study of the short range order model

inferred← citeshttps://doi.org/10.1007/s11664-016-4678-zopenalex-snapshot

Theoretical Investigation of Donor–Acceptor Copolymers Based on C-, Si-, and Ge-Bridged Thieno[3,2-b]dithiophene for Organic Solar Cell Applications

inferred← citeshttps://doi.org/10.1007/s11664-017-5455-3openalex-snapshot

Density Functional Study on A-Units Based on Thieno[3,4-c]pyrrole-4,6-dione for Organic Solar Cells

inferred← citeshttps://doi.org/10.1007/s12034-020-02316-yopenalex-snapshot

Push-pull effect on the charge transport characteristics in V-shaped organic semiconductor materials

inferred← citeshttps://doi.org/10.1007/s12648-021-02149-3openalex-snapshot

Temperature and energetic disorder dependence of Seebeck coefficient in organic materials

inferred← citeshttps://doi.org/10.1007/s12648-024-03244-xopenalex-snapshot

Investigation of Seebeck coefficient in organic materials under a magnetic field

inferred← citeshttps://doi.org/10.1007/s40010-014-0152-6openalex-snapshot

High Charge Carrier Mobility in Two Dimensional Indium (III) Isophthalic Acid Based Frameworks

inferred← citeshttps://doi.org/10.1007/s40843-024-3183-6openalex-snapshot

Electronic, optical, and charge transport properties of dimerized small-molecule acceptors: the role of end-group engineering

inferred← citeshttps://doi.org/10.1016/b978-0-12-819728-8.00071-1openalex-snapshot

Charge Transport and Mobility of Organic Semiconductors

inferred← citeshttps://doi.org/10.1016/j.aop.2018.01.014openalex-snapshot

Polaron mobility obtained by a variational approach for lattice Fröhlich models

inferred← citeshttps://doi.org/10.1016/j.apsusc.2019.07.184openalex-snapshot

Large-area single-crystal organic patterned thin films by vertically confined lateral crystal growth via capillary force lithography

inferred← citeshttps://doi.org/10.1016/j.apsusc.2022.154603openalex-snapshot

Two simple hole-transporting materials for perovskite solar cells: A DFT calculation and experimental study

inferred← citeshttps://doi.org/10.1016/j.arabjc.2017.01.001openalex-snapshot

Efficiency of La-doped TiO2 calcined at different temperatures in photocatalytic degradation of β-blockers

inferred← citeshttps://doi.org/10.1016/j.carbon.2014.05.091openalex-snapshot

Designing coved graphene nanoribbons with charge carrier mobility approaching that of graphene

inferred← citeshttps://doi.org/10.1016/j.carbon.2016.10.022openalex-snapshot

Optoelectronic properties of curved carbon systems

inferred← citeshttps://doi.org/10.1016/j.cclet.2016.05.030openalex-snapshot

Multiscale description of molecular packing and electronic processes in small-molecule organic solar cells

inferred← citeshttps://doi.org/10.1016/j.cclet.2019.05.024openalex-snapshot

Electronic polarization in dipolar organic molecular semiconductors: The case study of 1,2,3,4-tetrafluoro-6,7-dimethylnaphthalene crystal

inferred← citeshttps://doi.org/10.1016/j.chemphys.2011.07.025openalex-snapshot

Cis- and trans-isomerization-induced transition of charge transport property in PPV oligomers

inferred← citeshttps://doi.org/10.1016/j.chemphys.2018.09.015openalex-snapshot

Theoretical studies on 4H-cyclopenta[2,1-b:3,4-b′]dithiophene-based Windmill-shaped nanogrids with low reorganization energies

inferred← citeshttps://doi.org/10.1016/j.colsurfa.2024.134972openalex-snapshot

Molecular engineering push-pull structural versatility in the triphenylamine-thienodioxine-based hole transporting materials for high-performance organic and perovskite solar cells

inferred← citeshttps://doi.org/10.1016/j.colsurfa.2025.137549openalex-snapshot

Formulation of benzoxazine-functionalized molecules for flexible organic-inorganic thermoelectric systems

inferred← citeshttps://doi.org/10.1016/j.comptc.2010.10.005openalex-snapshot

Theoretical investigation on photophysical properties for 2,7-carbazole derivatives as solar cells materials: Effect of substitution

inferred← citeshttps://doi.org/10.1016/j.comptc.2014.06.028openalex-snapshot

Effect of heteroatoms substitution on electronic, photophysical and charge transfer properties of naphtha [2,1-b:6,5-b′] difuran analogues by density functional theory

inferred← citeshttps://doi.org/10.1016/j.comptc.2015.03.022openalex-snapshot

Theoretical study on charge mobilities of pentafluorophenyl-appended bisthiazole derivatives

inferred← citeshttps://doi.org/10.1016/j.comptc.2017.05.039openalex-snapshot

A theoretical study on the isomers of the B5TB heteroacene for improved semiconductor properties in organic electronics

inferred← citeshttps://doi.org/10.1016/j.comptc.2018.05.020openalex-snapshot

Mono substituted pyrenes as multifunctional materials for OLED: Analysis of the substituent effects on the charge transport properties using DFT methods

inferred← citeshttps://doi.org/10.1016/j.comptc.2019.112564openalex-snapshot

Effect of fluorination of the donor unit on the properties of benzodithiophene-triazole based donor-acceptor systems for polymer solar cells: A computational investigation

inferred← citeshttps://doi.org/10.1016/j.comptc.2025.115629openalex-snapshot

Rational molecular design of star-shaped small molecule donors based on BODIPY for high-performance organic solar cells applications

inferred← citeshttps://doi.org/10.1016/j.cplett.2011.08.033openalex-snapshot

Anisotropic charge injection and transport in the cross stacking crystal of distyrylbenzene derivative and a possible new device structure

inferred← citeshttps://doi.org/10.1016/j.cplett.2013.03.068openalex-snapshot

Theoretical investigations on the electronic and optical characteristics of fused-ring homopolymers: Comparison of oligomer method and PBC−DFT method

inferred← citeshttps://doi.org/10.1016/j.cplett.2017.09.054openalex-snapshot

Temperature dependence of electron mobility in N-type organic molecular crystals: Theoretical study

inferred← citeshttps://doi.org/10.1016/j.dyepig.2014.07.008openalex-snapshot

Synthesis and electrical properties of novel oligomer semiconductors for organic field-effect transistors (OFETs): Asymmetrically end-capped acene-heteroacene conjugated oligomers

inferred← citeshttps://doi.org/10.1016/j.dyepig.2014.09.031openalex-snapshot

Torsional angle dependence and switching of inner sphere reorganisation energies for electron and hole transfer processes involving phenyl substituted diketopyrrolopyrroles; a density functional study

inferred← citeshttps://doi.org/10.1016/j.dyepig.2015.12.030openalex-snapshot

Computational design of benzo [1,2-b:4,5-b′] dithiophene based thermally activated delayed fluorescent materials

inferred← citeshttps://doi.org/10.1016/j.dyepig.2016.12.024openalex-snapshot

Rational design of bis(4-methoxyphenyl)amine-based molecules with different π-bridges as hole-transporting materials for efficient perovskite solar cells

inferred← citeshttps://doi.org/10.1016/j.dyepig.2022.110484openalex-snapshot

Alkyl-promoted iridium complex for high-performance deep-red phosphorescent organic light-emitting diodes

inferred← citeshttps://doi.org/10.1016/j.dyepig.2022.110699openalex-snapshot

A novel fluorescent bis-lactam scaffold presenting high photostability and brightness

inferred← citeshttps://doi.org/10.1016/j.dyepig.2023.111179openalex-snapshot

Effect of bulky side groups on photophysical properties and electroluminescent performance of oligo(styryl)benzenes

inferred← citeshttps://doi.org/10.1016/j.dyepig.2025.113306openalex-snapshot

Lateral π-extension in hexa-peri-hexabenzo[7]helicene: Enhanced linear and second-order nonlinear optical properties

inferred← citeshttps://doi.org/10.1016/j.ica.2017.12.038openalex-snapshot

Complexes of Zn(II) and Cd(II) with 2-acetylpyridine -aminoguanidine – Syntheses, structures and DFT calculations

inferred← citeshttps://doi.org/10.1016/j.ijleo.2020.165530openalex-snapshot

Exploration of electronic nature and intrinsic mobility of 10-(1,3-dithiol-2-ylidene)anthracene based organic semiconductor materials

inferred← citeshttps://doi.org/10.1016/j.ijleo.2021.166787openalex-snapshot

DFT molecular modeling studies of D-π-A-π-D type cyclopentadithiophene-diketopyrrolopyrrole based small molecules donor materials for organic photovoltaic cells

inferred← citeshttps://doi.org/10.1016/j.jechem.2018.11.012openalex-snapshot

Impact of alkyl chain branching positions on molecular packing and electron transport of dimeric perylenediimide derivatives

inferred← citeshttps://doi.org/10.1016/j.jiec.2021.11.042openalex-snapshot

Strain-induced carrier mobility modulation in organic semiconductors

inferred← citeshttps://doi.org/10.1016/j.jmgm.2014.04.016openalex-snapshot

The effect of intermolecular interactions on the charge transport properties of thiazole/thiophene-based oligomers with trifluoromethylphenyl

inferred← citeshttps://doi.org/10.1016/j.jmgm.2017.05.017openalex-snapshot

Exploring the potential of boron-doped nanographene as efficient charge transport and nonlinear optical material: A first-principles study

inferred← citeshttps://doi.org/10.1016/j.jorganchem.2025.123594openalex-snapshot

Solution-processed red organic light-emitting diodes based on phosphorescent iridium(III) complex with isoquinoline derivative as the main ligand

inferred← citeshttps://doi.org/10.1016/j.jpcs.2016.07.006openalex-snapshot

Investigation of boron modified graphene nanostructures; optoelectronic properties of graphene nanoparticles and transport properties of graphene nanosheets

inferred← citeshttps://doi.org/10.1016/j.jpcs.2020.109532openalex-snapshot

Optoelectronic properties of cyclopentadithiophene-based donor–acceptor copolymers as donors in bulk heterojunction organic solar cells: A theoretical study

inferred← citeshttps://doi.org/10.1016/j.jphotochem.2023.114991openalex-snapshot

Engineering push–pull structural versatility in highly functional carbazole-based hole transporting materials design for efficient perovskites solar devices

inferred← citeshttps://doi.org/10.1016/j.jpowsour.2013.06.137openalex-snapshot

Molecular design of donor–acceptor conjugated copolymers based on C-, Si- and N-bridged dithiophene and thienopyrroledione derivatives units for organic solar cells

inferred← citeshttps://doi.org/10.1016/j.matchemphys.2015.12.041openalex-snapshot

Optoelectronic properties of higher acenes, their BN analogue and substituted derivatives

inferred← citeshttps://doi.org/10.1016/j.matchemphys.2016.01.062openalex-snapshot

Density functional study on the effect of aromatic rings flanked by bithiophene of novel electron donors in small-molecule organic solar cells

inferred← citeshttps://doi.org/10.1016/j.matchemphys.2019.122329openalex-snapshot

A DFT and MD study of reactive, H2 adsorption and optoelectronic properties of graphane nanoparticles – An influence of boron doping

inferred← citeshttps://doi.org/10.1016/j.matdes.2020.108730openalex-snapshot

Simple charge transport model for efficient search of high-mobility organic semiconductor crystals

inferred← citeshttps://doi.org/10.1016/j.molliq.2024.125103openalex-snapshot

Molecularly engineered pyrrole-based hole transport materials featuring diversified structures for high-performance perovskite solar cells from first-principles

inferred← citeshttps://doi.org/10.1016/j.molliq.2024.126681openalex-snapshot

Enhancing optoelectronic performance of organic solar cells: Alkoxy substitution of central cores and π-bridge units in fully non-fused ring electron acceptors

inferred← citeshttps://doi.org/10.1016/j.molstruc.2016.07.096openalex-snapshot

FT-IR, FT-Raman and NMR characterization of 2-isopropyl-5-methylcyclohexyl quinoline-2-carboxylate and investigation of its reactive and optoelectronic properties by molecular dynamics simulations and DFT calculations

inferred← citeshttps://doi.org/10.1016/j.molstruc.2016.09.063openalex-snapshot

Spectroscopic characterization of 1-[3-(1H-imidazol-1-yl)propyl]-3-phenylthiourea and assessment of reactive and optoelectronic properties employing DFT calculations and molecular dynamics simulations

inferred← citeshttps://doi.org/10.1016/j.molstruc.2017.01.016openalex-snapshot

Investigation of spectroscopic, reactive, transport and docking properties of 1-(3,4-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (ANF-6): Combined experimental and computational study

inferred← citeshttps://doi.org/10.1016/j.molstruc.2018.02.081openalex-snapshot

Structural and spectroscopic characterization, reactivity study and charge transfer analysis of the newly synthetized 2-(6-hydroxy-1-benzofuran-3-yl) acetic acid

inferred← citeshttps://doi.org/10.1016/j.molstruc.2018.10.007openalex-snapshot

Structural, spectroscopic characterization of 2-(5-methyl-1-benzofuran-3-yl) acetic acid in monomer, dimer and identification of specific reactive, drug likeness properties: Experimental and computational study

inferred← citeshttps://doi.org/10.1016/j.molstruc.2026.146555openalex-snapshot

Acridine as a π-bridge in d-π-D architectures: Integrated experimental and computational mapping of donor-dependent frontier orbital landscapes

inferred← citeshttps://doi.org/10.1016/j.orgel.2012.03.026openalex-snapshot

Theoretical study on charge transport properties of cyanovinyl-substituted oligothiophenes

inferred← citeshttps://doi.org/10.1016/j.orgel.2012.03.033openalex-snapshot

Phase dependence of hole mobilities in dibenzo-tetrathiafulvalene crystal: A first-principles study

inferred← citeshttps://doi.org/10.1016/j.orgel.2012.08.001openalex-snapshot

Theoretical insights into the charge transport in perylene diimides based n-type organic semiconductors

inferred← citeshttps://doi.org/10.1016/j.orgel.2012.08.035openalex-snapshot

Effect of dihydropyrazine on structures and charge transport properties of N-heteropentacenes matters: A theoretical investigation

inferred← citeshttps://doi.org/10.1016/j.orgel.2012.09.029openalex-snapshot

Poly(arylenethynyl-thienoacenes) as candidates for organic semiconducting materials. A DFT insight

inferred← citeshttps://doi.org/10.1016/j.orgel.2012.12.001openalex-snapshot

Charge transport properties in a series of five-ring-fused thienoacenes: A quantum chemistry and molecular mechanic study

inferred← citeshttps://doi.org/10.1016/j.orgel.2013.02.017openalex-snapshot

An efficient strategy for improving carrier transport performance – Introducing fluorine into aryl substituted tetracene

inferred← citeshttps://doi.org/10.1016/j.orgel.2013.09.039openalex-snapshot

Percolative charge transport in a co-evaporated organic molecular mixture

inferred← citeshttps://doi.org/10.1016/j.orgel.2016.01.023openalex-snapshot

Fine structural tuning of diketopyrrolopyrrole-cored donor materials for small molecule-fullerene organic solar cells: A theoretical study

inferred← citeshttps://doi.org/10.1016/j.orgel.2017.07.045openalex-snapshot

Charge transfer properties of diphenyl substituted cyclopentadithiophene organic semiconductors: The role of fluorine and malononitrile substitutions and crystal ordering

inferred← citeshttps://doi.org/10.1016/j.orgel.2019.105571openalex-snapshot

Estimation of electron and hole mobility of 50 homogeneous fullerene amorphous structures (C60, C58B2, C58N2 and C58NB) using a percolation corrected Marcus theory model

inferred← citeshttps://doi.org/10.1016/j.physb.2025.417036openalex-snapshot

Experimental and quantum mechanical calculations of (Z)-4-benzylidene-3-methylisoxazol-5(4H)-one

inferred← citeshttps://doi.org/10.1016/j.saa.2018.07.003openalex-snapshot

Synthesis of 5-(5-methyl-benzofuran-3-ylmethyl)-3H- [1, 3, 4] oxadiazole-2-thione and investigation of its spectroscopic, reactivity, optoelectronic and drug likeness properties by combined computational and experimental approach

inferred← citeshttps://doi.org/10.1016/j.saa.2019.117580openalex-snapshot

Spectral characterization, thermochemical studies, periodic SAPT calculations and detailed quantum mechanical profiling various physico-chemical properties of 3,4-dichlorodiuron

inferred← citeshttps://doi.org/10.1016/j.spmi.2014.12.010openalex-snapshot

Optoelectronic and charge carrier hopping properties of ultra-thin boron nitride nanotubes

inferred← citeshttps://doi.org/10.1016/j.synthmet.2010.08.024openalex-snapshot

Metal salen coordination compounds: A new type of ambipolar charge transport materials

inferred← citeshttps://doi.org/10.1016/j.synthmet.2011.02.015openalex-snapshot

Synthesis and characterization of novel 2,5-diphenyl-1,3,4-oxadiazole derivatives of anthracene and its application as electron transporting blue emitters in OLEDs

inferred← citeshttps://doi.org/10.1016/j.synthmet.2011.03.018openalex-snapshot

The effect of multiple weak interactions on the charge transport ability in polymorphs

inferred← citeshttps://doi.org/10.1016/j.synthmet.2015.03.002openalex-snapshot

Electronic property and charge carrier mobility of extended nanowires built from narrow graphene nanoribbon and atomic carbon chain

inferred← citeshttps://doi.org/10.1016/j.synthmet.2018.12.005openalex-snapshot

How to stabilize the HOMO levels and to improve the charge transport properties of hole-transporting materials? Introducing a symmetrical core unit

inferred← citeshttps://doi.org/10.1016/j.synthmet.2019.05.014openalex-snapshot

Molecular design of D-π-D-typed hole-transporting materials for perovskite solar cells based on the π-conjugated cores

inferred← citeshttps://doi.org/10.1016/j.synthmet.2019.116196openalex-snapshot

Theoretical design of new cyclopentadithiophene-based organic semiconductors with tunable nature and performance

inferred← citeshttps://doi.org/10.1016/j.synthmet.2026.118146openalex-snapshot

Experimental and theoretical progress on emerging π-conjugated 2D organic frameworks for thermoelectrics

inferred← citeshttps://doi.org/10.1016/j.synthmet.2026.118192openalex-snapshot

Nanocomposites of Spiro-OMeTAD:ZnPc as promising hole transport materials for perovskite solar cells

inferred← citeshttps://doi.org/10.1016/j.tet.2018.06.043openalex-snapshot

Synthesis of chloroboron(III) 3,4,12,13,21,22- hexabromosubnaphthalocyanine under high dilution conditions and comparative studies of effects of halogenation on physicochemical properties of subnaphthalocyanines

inferred← citeshttps://doi.org/10.1016/j.wees.2026.06.001openalex-snapshot

Strain effects on charge transport in molecular single crystals through dynamic disorders

inferred← citeshttps://doi.org/10.1021/acs.cgd.9b00216openalex-snapshot

Role of Intermolecular Interactions in Molecular Packing of Alkoxy-Substituted Bis-1,3,4-oxadiazole Derivatives

inferred← citeshttps://doi.org/10.1021/acs.chemmater.2c00281openalex-snapshot

Feasibility of p-Doped Molecular Crystals as Transparent Conductive Electrodes via Virtual Screening

inferred← citeshttps://doi.org/10.1021/acs.chemmater.6b03518openalex-snapshot

Dual Encapsulation of Electron Transporting Materials To Simplify High-Efficiency Blue Thermally Activated Delayed Fluorescence Devices

inferred← citeshttps://doi.org/10.1021/acs.chemmater.7b00827openalex-snapshot

Quantitative Correlation between Carrier Mobility and Intermolecular Center-to-Center Distance in Organic Single Crystals

inferred← citeshttps://doi.org/10.1021/acs.chemrev.1c00971openalex-snapshot

Polymer Photoelectrodes for Solar Fuel Production: Progress and Challenges

inferred← citeshttps://doi.org/10.1021/acs.chemrev.5b00190openalex-snapshot

Discotic Liquid Crystals

inferred← citeshttps://doi.org/10.1021/acs.inorgchem.8b01841openalex-snapshot

Tuning Semiconductor Performance of Nickel Complexes through Crystal Transformation

inferred← citeshttps://doi.org/10.1021/acs.jctc.3c00340openalex-snapshot

Time-Dependent Density Matrix Renormalization Group Method for Quantum Transport with Phonon Coupling in Molecular Junction

inferred← citeshttps://doi.org/10.1021/acs.jctc.4c01029openalex-snapshot

From Molecules to Devices: A Multiscale Approach to Evaluating Organic Photovoltaics

inferred← citeshttps://doi.org/10.1021/acs.jctc.5c01385openalex-snapshot

Hierarchical Equations of Motion in Matrix Product States: Formalism and Applications for Charge Transport

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