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Predicting physical properties of alkanes with neural networks
www.tcm.phy.cam.ac.uk/~gjc29/papers/SantakConduit19.pdf24 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 Results that match 1 of 2 words
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OptaDOS -- About
www.tcm.phy.cam.ac.uk/~ajm255/optados/download.html3 Jun 2020: fix lorentz broadening and write out broadened agr. test logicals correctly. -
Intellegens and Optibrium succeed in Open Source Malaria initiative
www.tcm.phy.cam.ac.uk/~gjc29/coverage/COVID-19.pdf24 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 -
Slide 1
www.tcm.phy.cam.ac.uk/~gjc29/talks/TataTalk2018.pdf24 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. -
Slide 1
www.tcm.phy.cam.ac.uk/~gjc29/talks/CDTTalk2018.pdf24 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. -
Deep Learning Based on Sparse and Noisy Data to Improve Predictions…
www.tcm.phy.cam.ac.uk/~gjc29/posters/DrugDiscovery1.pdf24 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. -
An ab initio study of theLittle-Parks effect in ultrathin ...
www.tcm.phy.cam.ac.uk/~gjc29/talks/OxfordTalk2011.pdf24 Aug 2020: Test the formalism against a series of well-established results Study the Little Parks effect and magnetoresistance peak. -
An ab initio study of theLittle-Parks effect Gareth Conduit, ...
www.tcm.phy.cam.ac.uk/~gjc29/talks/TCMTalk2011.pdf24 Aug 2020: Test the formalism against a series of well-established results Study the Little Parks effect and magnetoresistance peak. -
Comment on ‘‘Magnetic-Field-Tuned Quantum PhaseTransition in the…
www.tcm.phy.cam.ac.uk/~gjc29/papers/ConduitMeir11iv.pdf24 Aug 2020: Finally,we have made a specific prediction to test our analysis. G. -
Fragment Graphical Variational AutoEncoding for Screening Molecules…
www.tcm.phy.cam.ac.uk/~gjc29/papers/ArmitageConduitSirringhaus19.pdf24 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). -
Modelling the magnetoresistance of disordered superconducting films…
www.tcm.phy.cam.ac.uk/~gjc29/talks/YorkTalk2012.pdf24 Aug 2020: Test the formalism against a series of well-established results Study the Little Parks effect and magnetoresistance peak. -
Special Report For reprint orders, please contact:…
www.tcm.phy.cam.ac.uk/~gjc29/papers/IrwinMahmoudWhiteheadConduitSegall20.pdf24 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 -
DATA - DRIVEN DISCOVERY 7 examples of how materials ...
www.tcm.phy.cam.ac.uk/~gjc29/talks/WebinarSevenApplicationsTalk2020.pdf24 Aug 2020: Solution. In blind test Alchemite accurately predicted activity of compounds against novel mechanisms of action. -
Modelling the magnetoresistance of disordered superconducting films…
www.tcm.phy.cam.ac.uk/~gjc29/talks/RoyalHollowayTalk2012.pdf24 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. -
intellegens.ai Design of an alloy fordirect laser depositionusing…
www.tcm.phy.cam.ac.uk/~gjc29/talks/MetalysisTalk2019.pdf24 Aug 2020: Testing the yield stress. Design parameter. intellegens.ai. Test the oxidation resistance. -
1 Supplementary Material: Absence of diagonal force constants in ...
www.tcm.phy.cam.ac.uk/~gjc29/papers/AndrewsConduit20_supplement.pdf23 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. -
Materials data validation and imputation with an artificial neural ...
www.tcm.phy.cam.ac.uk/~gjc29/papers/VerpoortMacDonaldConduit18.pdf24 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. -
Alloys based on Cr-Cr2Ta containing Si A. Bhowmik, R.J. ...
www.tcm.phy.cam.ac.uk/~gjc29/papers/Bhowmik13.pdf24 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. -
DATA - DRIVEN DISCOVERY Ingredients Processes Properties…
www.tcm.phy.cam.ac.uk/~gjc29/talks/WebinarMaterialsChemicalsTalk2020.pdf24 Aug 2020: Guide experiments. Use confidence levels to guide where you need to test further. -
High-fidelity contact pseudopotentials and p-wave superconductivity…
www.tcm.phy.cam.ac.uk/~gjc29/papers/BugnionNeedsConduit14.pdf24 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 -
PHYSICAL REVIEW B 90, 184302 (2014) Extracting semiconductor band ...
www.tcm.phy.cam.ac.uk/~gjc29/papers/MonserratConduitNeeds14.pdf24 Aug 2020: To determinethe most appropriate order for the phonon dispersion method,the reduced-χ 2 test may be used. ... 47]) 0.36. obtained by the phonon dispersion method, as also observedin our tests reported in Fig. -
PHYSICAL REVIEW B 87, 184414 (2013) Quantum Monte Carlo ...
www.tcm.phy.cam.ac.uk/~gjc29/papers/Conduit13i.pdf24 Aug 2020: Tests revealed that thetime-step error had entered the linear regime at τ < 0.01 (at aWigner-Seitz radius rs = 1). ... To gauge the scale of the finite-size error we ran tests on aparamagnetic system with the screened Coulomb interaction. -
Slide 1
www.tcm.phy.cam.ac.uk/~gjc29/talks/ShellTalk2017.pdf24 Aug 2020: Proposed theory. Test the yield stress. RR1000. Proposed theory. Test the yield stress. ... RR1000. Proposed theoryProposed experiment. Test the oxidation resistance. RR1000. Proposed theoryProposed experiment. -
PHYSICAL REVIEW B 92, 075106 (2015) Pseudopotential for the ...
www.tcm.phy.cam.ac.uk/~gjc29/papers/LloydWilliamsNeedsConduit15.pdf24 Aug 2020: Finally, we test the pseudopotential on twoinhomogeneous systems: the isolated lithium and berylliumatoms. ... With the pseudopotential providing phase shifts with anerror of only 104, we are well-positioned to test its. -
Machine learning can struggle to make accurate predictions when ...
www.tcm.phy.cam.ac.uk/~gjc29/papers/SegallIrwinWhiteheadMahmoudShieldsTurnerElliottMarcuPariniChampnessConduit20.pdf12 Nov 2020: This shows that deep learning imputation models achieved the most accurate predictions on the full test set. ... Figure 3: Results on an independent test for a project-related heterogeneous data set, including biochemical activities (A bio. -
PHYSICAL REVIEW A 93, 022706 (2016) Pseudopotentials for an ...
www.tcm.phy.cam.ac.uk/~gjc29/papers/WhiteheadConduit16.pdf24 Aug 2020: Havingproposed the pseudopotential, in Sec. IV we test it on asecond two-body system: two particles in a parabolic trap.In Sec. ... In each test, shown inFigs. 3(b), 4, and 8, the UTP method has given more accurateresults. -
Tail-regression estimator for heavy-tailed distributions of known…
www.tcm.phy.cam.ac.uk/~gjc29/papers/LopezRiosConduit19.pdf24 Aug 2020: In our tests we tryseveral thresholds and converge the fit with respect to theexpansion order at each of them. ... A. Energy of the homogeneous electron gas. The homogeneous electron gas is an ideal test bed formethodological developments in QMC. -
Diffusion Monte Carlo study of a spin-imbalanced two-dimensional…
www.tcm.phy.cam.ac.uk/~gjc29/papers/FooConduit19.pdf24 Aug 2020: This test statistic showsthat the DMC results obtained are 27 times better described byan underlying (N, N ) = (3, 1) communal state and 38 timesbetter described by an underlying (N, N ) = (2, ... The test statistics obtained repeats the conclusionthat -
PHYSICAL REVIEW A 90, 033626 (2014) High-fidelity pseudopotentials…
www.tcm.phy.cam.ac.uk/~gjc29/papers/BugnionLopezRiosNeedsConduit14.pdf24 Aug 2020: III,we test the accuracy of the proposed formalism using theexactly soluble system of two trapped atoms. ... We test the robustness of the UTP construction by generat-ing two additional variants of the formalism. -
Probabilistic design of a molybdenum-base alloy using a neural ...
www.tcm.phy.cam.ac.uk/~gjc29/papers/ConduitJonesStoneConduit17ii.pdf24 Aug 2020: This case study not only serves as an indepen-dent test of the alloy design approach, but moreover leadsto an alloy with properties that exceed those of other, com-mercially available -
PHYSICAL REVIEW B 94, 035157 (2016) Jastrow correlation factor ...
www.tcm.phy.cam.ac.uk/~gjc29/papers/WhiteheadMichaelConduit16.pdf24 Aug 2020: III. HOMOGENEOUS ELECTRON GAS. For the first test of our Jastrow factor we examine thehomogeneous electron gas (HEG). ... We now go on to test the ν Jastrow factorin an inhomogeneous periodic system, for which we take theexample of crystalline beryllium. -
PHYSICAL REVIEW B 84, 064513 (2011) First-principles calculation of…
www.tcm.phy.cam.ac.uk/~gjc29/papers/ConduitMeir11i.pdf24 Aug 2020: Having developed the new formulafor the current and accompanying computational tool, it isimperative to carefully test it against a series of knownresults. ... To test the effects of such decoherence due tomany-body interactions, we introduce into the -
Grain growth behaviour during near-γ’ solvus thermal exposures in ...
www.tcm.phy.cam.ac.uk/~gjc29/papers/CollinsConduit13.pdf24 Aug 2020: It therefore appears from this evidence that ther/φ value associated with the carbides remains approximatelyconstant for the test durations and temperature ranges examinedduring this investigation, consistent with the invariability of -
PHYSICAL REVIEW A 93, 042702 (2016) Pseudopotential for the ...
www.tcm.phy.cam.ac.uk/~gjc29/papers/Whitehead16.pdf24 Aug 2020: To test the pseu-dopotentials we turn to the experimentally realizable [38,39]system of two distinguishable fermions in a circular harmonictrapping potential 14 ω. ... 2r 2 of frequency ω. This system also hasthe advantage of being analytically soluble, -
Machine learning to predict mesenchymal stem cell efficacy for…
www.tcm.phy.cam.ac.uk/~gjc29/papers/LiuLuOhConduit20.pdf11 Nov 2020: the most confident predictions. The coefficient of determination (R2) of our machine learning model in predicting MSCtherapy outcome was 0.637 0.005 in cross-validation test. ... work. A correlation test is performed between all properties to make sure -
Diffusion Monte Carlo study of a valley-degenerate electron gas ...
www.tcm.phy.cam.ac.uk/~gjc29/papers/ConduitHaynes08.pdf24 Aug 2020: controllable variation in electron density, so theyshould provide a good test of the gradient expansion. -
Design of a nickel-base superalloy using a neural network ...
www.tcm.phy.cam.ac.uk/~gjc29/papers/ConduitJonesStoneConduit17.pdf24 Aug 2020: This case study not only serves as anindependent test of the alloy design approach, but more-over leads to a potentially commercially viable alloy. -
Absence of diagonal force constants in cubic Coulomb crystals
www.tcm.phy.cam.ac.uk/~gjc29/papers/AndrewsConduit20.pdf23 Dec 2020: Online version in colour.). Having found that the cubic crystal stability test can be inconclusive at second order, weturn to a higher order expansion. -
Slide 1
www.tcm.phy.cam.ac.uk/~gjc29/talks/BenevolentAITalk2017.pdf24 Aug 2020: Proposed theory. Test the yield stress. RR1000. Proposed theory. Test the yield stress. ... RR1000. Proposed theoryProposed experiment. Test the oxidation resistance. RR1000. Proposed theoryProposed experiment. -
Predicting the Current and Future State of Batteries usingData-Driven …
www.tcm.phy.cam.ac.uk/~gjc29/papers/NgZhaoYanConduitSeh20.pdf24 Aug 2020: lifetime’ group, with 4.9% test error. -
PHYSICAL REVIEW A 95, 013633 (2017) Effective-range dependence of ...
www.tcm.phy.cam.ac.uk/~gjc29/papers/SchonenbergConduit17.pdf24 Aug 2020: Wehave performed additional tests to show that the variation of the. -
Au-Ge Alloys for Wide-Range Low-Temperature On-Chip Thermometry
www.tcm.phy.cam.ac.uk/~gjc29/papers/DannVerpoortFerreiradeOliveiraRowleyDattaKarNarayanFordConduitNarayan19.pdf24 Aug 2020: P. Pekola,and R. A. Voutilainen, Coulomb blockade thermometer:Tests and instrumentation, Rev. -
Slide 1
www.tcm.phy.cam.ac.uk/~gjc29/talks/BarclaysAIFrenzyTalk2018.pdf24 Aug 2020: Test the yield stress. RR1000. Proposed theory. Test the yield stress. -
FerroElectricHeatCap.tex
www.tcm.phy.cam.ac.uk/~gjc29/Thesis/Conduit.pdf24 Aug 2020: Collective phenomena in correlated. semiconductors, degenerate Fermi. gases, and ferroelectrics. G.J. Conduit. Selwyn College. University of Cambridge. April 2009. This thesis is submitted. for the degree of. Doctor of Philosophy. i. Collective -
Chapter 1
www.tcm.phy.cam.ac.uk/~gjc29/papers/DalkeConduit09.pdf24 Aug 2020: For these ‘Real World’ site tests, vision testing required establishing the vision capability of all the participants. ... a) (b). Figure 1.4 Testing – (a) Setting up the test showing the 10 metre test distance. -
Modeling the magnetoresistance of disordered superconducting films…
www.tcm.phy.cam.ac.uk/~gjc29/talks/CMPTalk2012.pdf24 Aug 2020: Develop algorithm that permits access to large systems Test the formalism against a series of well-established results Study the magnetoresistance peak & putative quantum phase. -
Dark Matter Haloes Presentation
www.tcm.phy.cam.ac.uk/~gjc29/talks/BPTalk2005.pdf24 Aug 2020: Gareth ConduitTesting Halo Stability. Test a simulated halo for stability Deviation at small radii is due to two body relaxation. -
An ab initio study of theLittle-Parks effect in ultrathin ...
www.tcm.phy.cam.ac.uk/~gjc29/talks/UCLTalk2011.pdf24 Aug 2020: Test the formalism against a series of well-established results Study the Little Parks effect and magnetoresistance peak. -
Breakthroughs in data driven materials design EP14153898.3; US…
www.tcm.phy.cam.ac.uk/~gjc29/talks/SAITHQTalk2014.pdf24 Aug 2020: Test four new tools uniquely unified within a materials design tool to maximize learning from data. -
Titanium alloy for astructural heat exchanger 26 March 2020 ...
www.tcm.phy.cam.ac.uk/~gjc29/talks/ATI-BoeingDemoDayTalk2020.pdf24 Aug 2020: Predictions. Predictions. Test: increasing aluminum content should lead to increased thermal conductivity.
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