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14 Jun 2021: Combustor in a jet engine. Direct laser deposition requires new alloys.

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

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.

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.

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

25 Jan 2021: the existence of a new type of continuous phase transition driven by the proliferation of.

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:.

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

28 Apr 2021: as )|q (as )|. and the second limit is unchanged.In addition to this new communal variational freedom,.

30 Aug 2021: In summary, the main advantages of the new alloy in comparison to the prior art are:.

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.

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

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:

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

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.

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

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

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,.

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.