Search Results - "Genway, Sam"

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    De Novo Molecule Design by Translating from Reduced Graphs to SMILES by Pogány, Peter, Arad, Navot, Genway, Sam, Pickett, Stephen D

    “…A key component of automated molecular design is the generation of compound ideas for subsequent filtering and assessment. Recently deep learning approaches…”
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    Journal Article
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    Dynamical phase transitions, time-integrated observables, and geometry of states by Hickey, James M., Genway, Sam, Garrahan, Juan P.

    “…We show that there exist dynamical phase transitions (DPTs), as defined by Heyl et al. [Phys. Rev. Lett. 110, 135704 (2013)…”
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    Journal Article
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    Generalized Dicke nonequilibrium dynamics in trapped ions by Genway, Sam, Li, Weibin, Ates, Cenap, Lanyon, Benjamin P, Lesanovsky, Igor

    Published in Physical review letters (17-01-2014)
    “…We explore trapped ions as a setting to investigate nonequilibrium phases in a generalized Dicke model of dissipative spins coupled to phonon modes. We find a…”
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    Journal Article
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    Time-integrated observables as order parameters for full counting statistics transitions in closed quantum systems by Hickey, James M., Genway, Sam, Lesanovsky, Igor, Garrahan, Juan P.

    “…The dynamical behavior of many-body systems is often richer than what can be anticipated from their static properties. Here we show that in closed quantum…”
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    Journal Article
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    New Horizons: Pioneering Pharmaceutical R&D with Generative AI from lab to the clinic -- an industry perspective by Doron, Guy, Genway, Sam, Roberts, Mark, Jasti, Sai

    Published 19-12-2023
    “…The rapid advance of generative AI is reshaping the strategic vision for R&D across industries. The unique challenges of pharmaceutical R&D will see…”
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    Journal Article
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    Thermalisation and temporal relaxation in closed quantum systems by Genway, Sam

    Published 01-01-2011
    “…This thesis approaches questions concerning the thermalisation of subsystems of closed quantum systems, prepared in pure states of definite energy but far from…”
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    Dissertation
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    Localization in space and time in disordered-lattice open quantum dynamics by Genway, Sam, Lesanovsky, Igor, Garrahan, Juan P

    “…We study a two-dimensional tight-binding lattice for excitons with on-site disorder, coupled to a thermal environment at infinite temperature. The disorder…”
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    Journal Article
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    Fluctuation theorems and the generalized Gibbs ensemble in integrable systems by Hickey, James M, Genway, Sam

    “…We derive fluctuation relations for a many-body quantum system prepared in a generalized Gibbs ensemble subject to a general nonequilibrium protocol. By…”
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    Journal Article
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    Phase transitions in trajectories of a superconducting single-electron transistor coupled to a resonator by Genway, Sam, Garrahan, Juan P, Lesanovsky, Igor, Armour, Andrew D

    “…Recent progress in the study of dynamical phase transitions has been made with a large-deviation approach to study trajectories of stochastic jumps using a…”
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    Journal Article
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    Data-driven reactivity prediction of targeted covalent inhibitors using computed quantum features for drug discovery by Montgomery, Tom W. A, Pogány, Peter, Purdy, Alice, Harris, Mike, Kowalik, Marek, Ferraro, Alex, Hasan, Hikmatyar, Green, Darren V. S, Genway, Sam

    Published 18-07-2023
    “…We present an approach to combine novel molecular features with experimental data within a data-driven pipeline. The method is applied to the challenge of…”
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    Journal Article
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    Fluctuation Theorems and the Generalised Gibbs Ensemble in Integrable Systems by Hickey, James M, Genway, Sam

    Published 14-03-2014
    “…Phys. Rev. E 90, 022107 (2014) We derive fluctuation relations for a many-body quantum system prepared in a Generalised Gibbs Ensemble subject to a general…”
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    Journal Article
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    Signatures of many-body localisation in a system without disorder and the relation to a glass transition by Hickey, James M, Genway, Sam, Garrahan, Juan P

    Published 31-05-2016
    “…Journal of Statistical Mechanics: Theory and Experiment 054047, (2016) We study a quantum spin system with local bilinear interactions and without quenched…”
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    Journal Article
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    Localisation in space and time in disordered-lattice open quantum dynamics by Genway, Sam, Lesanovsky, Igor, Garrahan, Juan P

    Published 28-01-2014
    “…Phys. Rev. E 89, 042129 (2014) We study a two-dimensional tight-binding lattice for excitons with on-site disorder, coupled to a thermal environment at…”
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    Journal Article
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    Dynamical phase transitions, time-integrated observables and geometry of states by Hickey, James M, Genway, Sam, Garrahan, Juan P

    Published 06-09-2013
    “…Phys. Rev. B 89, 054301 (2014) We show that there exist dynamical phase transitions (DPTs), as defined in [Phys. Rev. Lett. 110 135704 (2013)], in the…”
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    Journal Article
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    Spin Correlations as a Probe of Quantum Synchronization in Trapped Ion Phonon-Lasers by Hush, Michael R, Li, Weibin, Genway, Sam, Lesanovsky, Igor, Armour, Andrew D

    Published 27-05-2015
    “…Phys. Rev. A 91, 061401 (2015) We investigate quantum synchronization theoretically in a system consisting of two cold ions in microtraps. The ions' motion is…”
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    Journal Article
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    Time-integrated observables as order parameters for dynamical phase transitions in closed quantum systems by Hickey, James M, Genway, Sam, Lesanovsky, Igor, Garrahan, Juan P

    Published 20-11-2012
    “…Phys. Rev. B 87, 184303 (2013) The dynamical behaviour of many-body systems is often richer than what can be anticipated from their static properties. Here we…”
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    Journal Article
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    Thermodynamics of Quadrature Trajectories in Open Quantum Systems by Hickey, James M, Genway, Sam, Lesanovsky, Igor, Garrahan, Juan P

    Published 25-06-2012
    “…Phys. Rev. A 86, 063824 (2012) We apply a large-deviation method to study the diffusive trajectories of the quadrature operators of light within a reservoir…”
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    Journal Article