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  2. Slide 1

    www.tcm.phy.cam.ac.uk/~gjc29/talks/DPG_materialsTalk2017.pdf
    5 Sep 2021: Merge experiments and simulations into holistic design tool. Proposed four new alloys, experimentally verified.
  3. ATIBoeing_Intellegens_PR

    www.tcm.phy.cam.ac.uk/~gjc29/coverage/ATI_Boeing.pdf
    3 Apr 2021: we believe the 10 selected startups are bringing new ideas and technologies into our industry. ... We are excited about working with new entrepreneurs with a great level of energy and different ways of approaching innovation.”.
  4. 25 Jan 2021: However,strong interactions frequently induce transitions and lead to new equilibrium phases ofmatter. ... 4] R. P. Feynman, Statistical Mechanics, Benjamin, New York, (1972). Anotherclassic text by Feynman which covers the basic concepts.
  5. Deep Learning Tool Enables the Identification of Alkanes For ...

    www.tcm.phy.cam.ac.uk/~gjc29/coverage/Lubricants.pdf
    3 Apr 2021: new lubricants.
  6. Research Highlights

    www.tcm.phy.cam.ac.uk/highlights/2102259Aq_ap2076/
    18 Oct 2021: About. Research. People. Events. Join us. Impact. Research Highlights. Time crystals in long-range classical noisy systems. A team of current and former TCM researchers showed how long-range interactions can be leveraged to realize a classical
  7. Dr Engel

    www.tcm.phy.cam.ac.uk/profiles/eae32/
    3 Mar 2021: In Plain English. Designing new functional materials on a computer and then realising them in a laboratory is a grand challenge -- for no class of materials more so than those composed
  8. Research Highlights

    www.tcm.phy.cam.ac.uk/highlights/210814JQn_pcv22/
    14 Aug 2021: About. Research. People. Events. Join us. Impact. Research Highlights. Why is the training of artificial neural networks so effective? Our research reveals interesting characteristics of common learning techniques employed for training deep
  9. Slide 1

    www.tcm.phy.cam.ac.uk/~gjc29/talks/EPFLTalk2018.pdf
    7 Sep 2021: Combustor in a jet engine. Direct laser deposition requires new alloys. ... Inf. Model. 57, 2077 (2017). Impute missing entries to validate. Validate using a realistically split holdout data set, extrapolate to new chemical space.
  10. Research Highlights

    www.tcm.phy.cam.ac.uk/highlights/2104151o2_nw361/
    15 Apr 2021: About. Research. People. Events. Join us. Impact. Research Highlights. The exact exchange-correlation kernel. Calculations of the exact exchange-correlation kernel within linear response time-dependent density functional theory (TDDFT) elucidates
  11. Slide 1

    www.tcm.phy.cam.ac.uk/~gjc29/talks/LouvainTalk2018.pdf
    7 Sep 2021: Combustor in a jet engine. Direct laser deposition requires new alloys. ... Composition. Dis. orde. r. New material most likely to work. Composition.
  12. IntellegensTraining deep neural networks on fragmented data A new ...

    www.tcm.phy.cam.ac.uk/~gjc29/talks/LondonTalk2017.pdf
    5 Sep 2021: IntellegensTraining deep neural networks on fragmented data. A new deep neural network technology thatReduces product development costs. ... Gives 400x the potential to discover new drugs. Second phase of project underway, active discussions on future
  13. Slide 1

    www.tcm.phy.cam.ac.uk/~gjc29/talks/BakerHughesTalk2021.pdf
    7 Nov 2021: Combustor in a jet engine. Direct laser deposition requires new alloys.
  14. BreakfastBriefing_Materials_deck

    www.tcm.phy.cam.ac.uk/~gjc29/talks/BreakfastBriefingTalk2020.pdf
    12 Sep 2021: Solution. Applied novel neural network to combine sparse experimental data with computational thermodynamic predictions to design a new alloy. ... Disadvantages Chromium is toxic, environmentally unfriendly, and expensive. Challenge Design a new steel
  15. Slide 1

    www.tcm.phy.cam.ac.uk/~gjc29/talks/EngineeringTalk2020.pdf
    11 Sep 2021: Combustor in a jet engine. Direct laser deposition requires new alloys. ... Inf. Model. 57, 2077 (2017). Impute missing entries to validate. Validate using a realistically split holdout data set, extrapolate to new chemical space.
  16. Slide 1

    www.tcm.phy.cam.ac.uk/~gjc29/talks/DassaultTalk2017.pdf
    5 Sep 2021: Protein. Dru. g. stru. ctur. e. Predict activity of a new drug.
  17. Machine learning predicts mechanical properties of porous materials | …

    www.tcm.phy.cam.ac.uk/~gjc29/coverage/Porous_Materials.pdf
    4 Apr 2021: research/news/magnetic-graphene-forms-a-new-kind-of-magnetism). (/research/news/cambridge-launches-regulatory-genome-project). 0 Comments University of Cambridge Research Disqus' Privacy Policy Login1. ... Email. I wish to receive a weekly Cambridge
  18. Ansys 2021 v1

    www.tcm.phy.cam.ac.uk/~gjc29/talks/AnsysTalk2021.pdf
    17 Dec 2021: Confidential intellegens.ai. Validated a new alloy for 20+ composition/process parameters to satisfy 11 physical criteria.
  19. National Academy Sciences public

    www.tcm.phy.cam.ac.uk/~gjc29/talks/NationalAcademySciencesTalk2019.pdf
    11 Sep 2021: intellegens.ai. Combustor in a jet engine. intellegens.ai. Direct laser deposition requires new alloys. ... Load data1. Training2. Design3. intellegens.ai. Design and interrogate new materials. intellegens.ai.
  20. Copy of Advanced Materials Show

    www.tcm.phy.cam.ac.uk/~gjc29/talks/AdvancedMaterialsShowTalk2019.pdf
    11 Sep 2021: Training2. Predict & design3. intellegens.ai. Design, analyse, and share new materials.
  21. Copy of Granta for Ansys Materials Day v4

    www.tcm.phy.cam.ac.uk/~gjc29/talks/AnsysMaterialsDayTalk2021.pdf
    28 Sep 2021: Minimize business risk by ensuring reliable and repeatable processes. Reduce expense and time to take a new part to market. ... Drug discoveryPredict pharmacokinetics to improve compound selection. Hardfacing materialsDesign new surface treatments to
  22. Machine learning making light work of AM aerospace alloys

    www.tcm.phy.cam.ac.uk/~gjc29/coverage/Project_MEDAL.pdf
    15 Jan 2021: AM processing parameters for new metal alloys, making thedevelopment process more time and cost-efficient. ... While this new method is being developed with aerospace in mind, the teambelieves it will have applications for other sectors too.
  23. Advanced Engineering Show

    www.tcm.phy.cam.ac.uk/~gjc29/talks/AdvancedEngineeringShowTalk2019.pdf
    11 Sep 2021: intellegens.ai. Case study: additive manufacturing. intellegens.ai. Additive manufacturing requires new alloys.
  24. Confidential intellegens.ai Webinar will begin shortly Solving the…

    www.tcm.phy.cam.ac.uk/~gjc29/talks/SmallDataTalk2021.pdf
    14 Jul 2021: Confidential intellegens.ai. Open Source Malaria competition. Data-driven approach identified new candidate molecules. ... Validate new data. See also our data quality case study with Matmatch.
  25. OSM_PressRelease_Published1

    www.tcm.phy.cam.ac.uk/~gjc29/coverage/Open_Source_Malaria.pdf
    3 Apr 2021: researchers who design, synthesise and test new antimalarial candidates that they hope will. ... models to improve a promising series of antimalarials, suggests that new AI/ML.
  26. Advanced Engineering 2021 data slides

    www.tcm.phy.cam.ac.uk/~gjc29/talks/AdvancedEngineeringShowTalk2021.pdf
    4 Nov 2021: Handle sparse,. noisy, complex data. Ready-to-use solution. Confidential intellegens.ai. Validated a new alloy for 20+ composition/process parameters to satisfy 11 physical criteria.
  27. Richard Needs: Publications

    www.tcm.phy.cam.ac.uk/~rn11/publications.html
    30 Mar 2021: Jack Whaley-Baldwin and Richard Needs, New Journal of Physics 22, 023020 (2020). ... Chris J. Pickard and Richard J. Needs. Nature News and Views 511, 294 (2014).
  28. DATA - DRIVEN DISCOVERY Deep learning for materials and ...

    www.tcm.phy.cam.ac.uk/~gjc29/talks/AdditiveManufacturing2021.pdf
    23 Feb 2021: Qualification, particularly for metal AM target applications, has to consider new materials and processes. • ... Design your next experiment. Optimise a new alloy and processes to achieve multiple target properties.
  29. Slide 1

    www.tcm.phy.cam.ac.uk/~gjc29/talks/CambridgePhenomenonProgramTalk2021.pdf
    7 Nov 2021: Machine learning as a black box. Train from historical data. Predict new chemicals.
  30. Slide 1

    www.tcm.phy.cam.ac.uk/~gjc29/talks/TCMCurrentResearchTalk2021.pdf
    10 Jan 2021: Combustor in a jet engine. Direct laser deposition requires new alloys.
  31. Slide 1

    www.tcm.phy.cam.ac.uk/~gjc29/talks/TCMCurrentResearch_2Talk2021.pdf
    14 Jun 2021: Combustor in a jet engine. Direct laser deposition requires new alloys.
  32. IWGPM 2016 Abstracts

    www.tcm.phy.cam.ac.uk/~sea31/IWGPM2016.pdf
    14 Jan 2021: phenotype, genetic correlations that lead to large robustness and mutation probabilities to new phenotypes that are proportional to the fraction of genotype space that they occupy. ... The question that ultimate faces this new line of research is whether
  33. 25 Jan 2021: qualitatively new critical behaviour. In the previous section, we saw that a simple scaling. ... Thus onecan investigate which interactions will lead to new universality classes and which will not.
  34. Deep imputation on large‐scale drug discovery data

    www.tcm.phy.cam.ac.uk/~tmw38/Irwin21.pdf
    2 Oct 2021: would guide the selection and design of new compounds in drug discovery and. ... Virtual models derived fromsuch a “global” model will improve the virtual screening of new compounds.
  35. 2 Oct 2021: sf (z) f(z) U(0, 2). (2). When making new predictions the random variable S is generally replaced by itsmean of unity, although retaining it provides access to a measure
  36. 25 Jan 2021: the existence of a new type of continuous phase transition driven by the proliferation of.
  37. 1498398275196922729-US20140236548A1

    www.tcm.phy.cam.ac.uk/~gjc29/papers/ConduitConduit13.pdf
    30 Aug 2021: Then a new combination of design space variables is chosen by random steps. ... The proposed new design variable X, for each can be set in the following way:.
  38. OPTIMADE, an API for exchanging materials data

    www.tcm.phy.cam.ac.uk/~gjc29/papers/OPTIMADE21.pdf
    12 Aug 2021: New implementations are welcome and can register themselves via a pull request on GitHub (https://github.com/Materials-Consortia/providers). ... This should empower researchers to scan through new and unexpected material families, and train models from
  39. Temporal fluctuation-induced order in conventional superconductors

    www.tcm.phy.cam.ac.uk/~gjc29/papers/FooConduit21.pdf
    28 Apr 2021: as )|q (as )|. and the second limit is unchanged.In addition to this new communal variational freedom,.
  40. NICKEL ALLOY COMPOSITION - European Patent Office - EP 2944704 B1

    www.tcm.phy.cam.ac.uk/~gjc29/papers/StoneConduitConduit14.pdf
    30 Aug 2021: In summary, the main advantages of the new alloy in comparison to the prior art are:.
  41. Template for Electronic Submission to ACS Journals

    www.tcm.phy.cam.ac.uk/~tmw38/IrwinLevellWhiteheadSegallConduit20.pdf
    2 Oct 2021: data when updating models with new data as an ongoing medicinal chemistry project progresses. ... must be made for all inputs in order to make a new prediction.
  42. The Journal ofChemical Physics ARTICLE scitation.org/journal/jcp…

    www.tcm.phy.cam.ac.uk/~gjc29/papers/LiuAndrewsConduit19.pdf
    22 Aug 2021: The calculation is implemented inQMC through a new quantum mechanical expectation value,d2〈Ĥ〉/dRIdRJ, meaning that it can be evaluated with one con-figuration of the atoms to recover the
  43. An Open Drug Discovery Competition: Experimental Validation of…

    www.tcm.phy.cam.ac.uk/~gjc29/papers/Todd20.pdf
    26 Nov 2021: INTRODUCTIONEfficiency in the early stages of the drug discovery pipeline,from hit identification to lead optimization, is key to thedevelopment of new drugs. ... of all: to predict new chemical matter thatwould be active (rather than merely look at the
  44. The Journalof Chemical Physics ARTICLE scitation.org/journal/jcp…

    www.tcm.phy.cam.ac.uk/~gjc29/papers/SantakConduit20.pdf
    23 Aug 2021: The Journalof Chemical Physics ARTICLE scitation.org/journal/jcp. Enhancing NEMD with automatic shear ratesampling to model viscosity and correctionof systematic errors in modeling density:Application to linear and light branched alkanes. Cite as:
  45. Deep Imputation on Large-Scale Drug Discovery Data

    www.tcm.phy.cam.ac.uk/~gjc29/papers/IrwinWhiteheadRowlandMahmoudConduitSegall21.pdf
    23 Sep 2021: would guide the selection and design of new compounds in drug discovery and. ... Virtual models derived fromsuch a “global” model will improve the virtual screening of new compounds.
  46. Machine learning predictions of superalloymicrostructure Patrick L.…

    www.tcm.phy.cam.ac.uk/~gjc29/papers/TaylorConduit21.pdf
    28 Sep 2021: CALPHAD. Furthermore, unlike CALPHAD Gaussian process regressionquantifies the uncertainty in predictions, and can be retrained as new databecomes available. ... Machine learning (ML) is a new approach to curve-fitting data that hasrecently gained
  47. Practical Applications of Deep Learning To Impute Heterogeneous Drug…

    www.tcm.phy.cam.ac.uk/~gjc29/papers/IrwinLevellWhiteheadSegallConduit20.pdf
    22 Aug 2021: We demonstrate improvements in accuracy on the latestchemistry and data when updating models with new data as an ongoing medicinal chemistry project progresses. ... Project Ahad already finished; no new data would be added. Project Bwas an ongoing project
  48. Imputation of Sensory Properties Using Deep Learning Samar Mahmoud†,…

    www.tcm.phy.cam.ac.uk/~gjc29/papers/MahmoudIrwinChekmarevVyasKattasWhiteheadMansleyBikkerConduitSegall21.pdf
    15 Oct 2021: trained to expect both compound descriptors and sparse experimental data for new compounds with which to. ... often used to assess QSAR models, for which the goal is often to guide the design of new (virtual) compounds,.
  49. MINET Conference: Measurement, Sensation and Cognition

    www.tcm.phy.cam.ac.uk/~gjc29/papers/DalkeConduitConduitCorso09.pdf
    23 Aug 2021: Participants observe other people reach out and pick up an object, and then place this object in a new location. ... Once training has been achieved, every new observation projects onto a particular area of the map.

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