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  2. Predicting physical properties of alkanes with neural networks

    www.tcm.phy.cam.ac.uk/~gjc29/papers/SantakConduit19.pdf
    24 Aug 2020: The demand for lubricants makesthem an important economic component in oil and gasbusiness, while their importance is only expected to grow.Even as we move towards a future in which fossil ... We use a scheme called leave-one-out cross-validation, in
  3. Results that match 1 of 2 words

  4. OptaDOS -- About

    www.tcm.phy.cam.ac.uk/~ajm255/optados/download.html
    3 Jun 2020: fix lorentz broadening and write out broadened agr. test logicals correctly.
  5. Intellegens and Optibrium succeed in Open Source Malaria initiative

    www.tcm.phy.cam.ac.uk/~gjc29/coverage/COVID-19.pdf
    24 Aug 2020: significantly impact on human health, daily life, and world economics. Throughout the pandemic, d. ... Environmental, geographical and economic indicators. Alchemite has already proved helpful in the COVID-19 crisis – helping scientists, researchers
  6. Slide 1

    www.tcm.phy.cam.ac.uk/~gjc29/talks/TataTalk2018.pdf
    24 Aug 2020: Test the yield stress. RR1000. Proposed theory. Test the yield stress. ... RR1000. Proposed theoryProposed experiment. Test the oxidation resistance. RR1000. Proposed theoryProposed experiment.
  7. Slide 1

    www.tcm.phy.cam.ac.uk/~gjc29/talks/CDTTalk2018.pdf
    24 Aug 2020: Proposed theory. 2012: Test the yield stress. RR1000. Proposed theory. 2012: Test the yield stress. ... RR1000. Proposed theoryProposed experiment. 2012: Test the oxidation resistance. RR1000. Proposed theoryProposed experiment.
  8. Deep Learning Based on Sparse and Noisy Data to Improve Predictions…

    www.tcm.phy.cam.ac.uk/~gjc29/posters/DrugDiscovery1.pdf
    24 Aug 2020: 2], in which the training set compounds arenot representative of the test set. ... ResultsThe accuracy of five machine learning methods when applied to therealistically split, independent test set is shown below.
  9. An ab initio study of theLittle-Parks effect in ultrathin ...

    www.tcm.phy.cam.ac.uk/~gjc29/talks/OxfordTalk2011.pdf
    24 Aug 2020:Test the formalism against a series of well-established results Study the Little Parks effect and magnetoresistance peak.
  10. An ab initio study of theLittle-Parks effect Gareth Conduit, ...

    www.tcm.phy.cam.ac.uk/~gjc29/talks/TCMTalk2011.pdf
    24 Aug 2020:Test the formalism against a series of well-established results Study the Little Parks effect and magnetoresistance peak.
  11. Comment on ‘‘Magnetic-Field-Tuned Quantum PhaseTransition in the…

    www.tcm.phy.cam.ac.uk/~gjc29/papers/ConduitMeir11iv.pdf
    24 Aug 2020: Finally,we have made a specific prediction to test our analysis. G.
  12. Fragment Graphical Variational AutoEncoding for Screening Molecules…

    www.tcm.phy.cam.ac.uk/~gjc29/papers/ArmitageConduitSirringhaus19.pdf
    24 Aug 2020: reconstruct molecules in the datasets, which include both the. training and test data. ... autoencoder to reconstruct molecules in both the training and. test set (candidate set).
  13. Modelling the magnetoresistance of disordered superconducting films…

    www.tcm.phy.cam.ac.uk/~gjc29/talks/YorkTalk2012.pdf
    24 Aug 2020:Test the formalism against a series of well-established results Study the Little Parks effect and magnetoresistance peak.
  14. Special Report For reprint orders, please contact:…

    www.tcm.phy.cam.ac.uk/~gjc29/papers/IrwinMahmoudWhiteheadConduitSegall20.pdf
    24 Aug 2020: Figure 2. Performance in root-mean-square error measured on the independent test set of the Novartis benchmark‘realistic’ split for three imputation models, random forest and deep neural network prediction ... Figure 2 shows a comparison of
  15. DATA - DRIVEN DISCOVERY 7 examples of how materials ...

    www.tcm.phy.cam.ac.uk/~gjc29/talks/WebinarSevenApplicationsTalk2020.pdf
    24 Aug 2020: Solution. In blind test Alchemite accurately predicted activity of compounds against novel mechanisms of action.
  16. Modelling the magnetoresistance of disordered superconducting films…

    www.tcm.phy.cam.ac.uk/~gjc29/talks/RoyalHollowayTalk2012.pdf
    24 Aug 2020: Develop algorithm that permits access to large systems Test the formalism against a series of well-established results Study the magnetoresistance in thin-film superconductors.
  17. intellegens.ai Design of an alloy fordirect laser depositionusing…

    www.tcm.phy.cam.ac.uk/~gjc29/talks/MetalysisTalk2019.pdf
    24 Aug 2020: Testing the yield stress. Design parameter. intellegens.ai. Test the oxidation resistance.
  18. 1 Supplementary Material: Absence of diagonal force constants in ...

    www.tcm.phy.cam.ac.uk/~gjc29/papers/AndrewsConduit20_supplement.pdf
    23 Dec 2020: SII. Higher-order Derivative Test 2. SIII. Higher-order Matrices of Force Constants 2. ... I 6= 0 and any crystal structure. 2. SII. HIGHER-ORDER DERIVATIVE TEST.
  19. Materials data validation and imputation with an artificial neural ...

    www.tcm.phy.cam.ac.uk/~gjc29/papers/VerpoortMacDonaldConduit18.pdf
    24 Aug 2020: Finally, in Section 3.4, we present a test for theANN’s graphing capability. ... Having successfully confirmed the ANN’s ability to modelincomplete data, we have completed our tests on real-lifedata.
  20. Alloys based on Cr-Cr2Ta containing Si A. Bhowmik, R.J. ...

    www.tcm.phy.cam.ac.uk/~gjc29/papers/Bhowmik13.pdf
    24 Aug 2020: The ternary Cr-Ta-Si alloy was. also subjected to these tests for comparison. ... comparable to that of CMSX-4 (0.1 mg cm-2) [40]. As with the tests performed at.
  21. DATA - DRIVEN DISCOVERY Ingredients Processes Properties…

    www.tcm.phy.cam.ac.uk/~gjc29/talks/WebinarMaterialsChemicalsTalk2020.pdf
    24 Aug 2020: Guide experiments. Use confidence levels to guide where you need to test further.
  22. High-fidelity contact pseudopotentials and p-wave superconductivity…

    www.tcm.phy.cam.ac.uk/~gjc29/papers/BugnionNeedsConduit14.pdf
    24 Aug 2020: We develop a general ultratransferable pseudopotentialfor the contact interaction. We test its accuracy using theexactly soluble system of two trapped atoms, verify thefirst order itinerant ferromagnet transition, and finallypresent the first

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