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The softness and anisotropy of organic semiconductors offer them unique properties.Recently,solution-sheared thin-films of 6,13-bis(triisopropylsilylethynyl)pentacene(TIPS-P)with nonequilibrium single-crystal domains have shown much higher charge mobilities than unstrained ones(Nature 2011,480,504).However,to achieve efficient and targeted modulation of charge transport in organic semiconductors,a detailed microscopic understanding of the structure-property relationship is needed.In this work,motivated by the experimental studies,we seek to elucidate the relationship between lattice strain,molecular packing,and charge carrier mobility of TIPS-P crystals.By employing a multi-scale theoretical approach combining nonequilibrium molecular dynamics,first-principles calculations,and kinetic Monte Carlo simulations using charge transfer rates based on the tunneling enabled hopping model,we investigate charge transport properties of TIPS-P under various lattice strains.We first show that shear-strained TIPS-P indeed exhibits one-dimensional charge transport,which agrees with the experiment.Furthermore,we find that either shear or tensile strain leads to mobility enhancement,but with strong charge transport anisotropy.In addition,a combination of shear and tensile strains could not only enhance mobility,but also decrease anisotropy.By combining the shear and tensile strains,we could realize almost isotropic charge transport in TIPS-P crystal with the hole mobility improved by at least one order of magnitude.Our approach enables a deep understanding of the effect of lattice strain on charge carrier transport properties in organic semiconductors.