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31 Oct 2002: Next: Acknowledgements Up: Accurate kinetic energy evaluation Previous: Tests and discussion. ... We have performed tests of the FFT box method and various orders of FD.

25 Feb 2005: We outline the theory on which our method is based and present test calculations on a variety of systems.

31 Oct 2002: We have written a new code to implement and test this approach. ... Our test calculations on a variety of systems confirm that such a linear-scaling method should be directly comparable to traditional plane-waves.

25 Oct 2002: This scheme has been implemented and applied to the test case of 216 atoms of crystalline silicon.

11 Jul 2000: To test the method we use a localized spherical-wave basis set introduced in another Communication [15] to perform first-principles calculations. ... Test cases are taken from the molecular chlorine and bulk silicon systems.

3 Jun 2020: fix lorentz broadening and write out broadened agr. test logicals correctly.

Report on the sixth blind test of organic crystal structure prediction methods.

18 Oct 2005: Fundamentals of Special Relativity: Experimental basis and tests of SR, Lorentz transformations, elementary consequences, Doppler effect, aberration and visual appearance of objects.

31 Oct 2002: Next: Tests and discussion Up: Theory Previous: Finite Differences.

30 Mar 2021: Report on the sixth blind test of organic crystal structure prediction methods. ... Towards crystal structure prediction of complex organic compounds - a report on the fifth blind test.

10 Feb 2004: 16]. In all test cases we use norm-conserving pseudopotentials in Kleinman-Bylander [38] form, the local-density approximation [for the exchange and correlation term, and the.

6 Apr 2022: Test this new technology by exploring the blackboard below, where several TCM members have left their favourite equations.

11 Jul 2000: Next: Acknowledgements Up: Preconditioned conjugate gradient method Previous: 4. Tests of the..

29 Oct 2002: Figure 4 shows the quantity. , defined as. (46). for the molecules silane (. ) and cyclohexane (. ), for different FFT box sizes. For these tests we used a cubic simulation cell of side length. ,

14 Aug 2006: Results of tests on different materials show that ONETEP is an efficient parallel code that should be able to take advantage of a wide range of parallel computer architectures.

31 Oct 2002: Section 4 contains the results of calculations on different test systems, which are compared with those obtained using the same theory level and approximations, but with a plane-wave basis

3 Sep 1996: ESP effects than those studies using unselected subjects (a t test with 246 degrees of freedom [df] giving t = 3.16, p = 0.001).

31 Oct 2002: In section 5 we present tests on a variety of systems showing the accuracy and efficiency of this method and finally we conclude and mention what we see as future developments.

25 May 2007: Sue MacGregor: James Randi. Well, earlier I spoke to Professor Josephson himself, also to Professor Nicholas Humphrey of the London School of Economics, and I asked Professor Josephson first if, as

2 Jun 2015: M. LYNDEN-BELL and M. W. FINNIS "Ab initio Atomistic Simulation of the Strength of Defective Aluminium and Tests of Empirical Force Models" Phys.

11 Jul 2000: Next: 4. Tests of the Up: Preconditioned conjugate gradient method Previous: 2.

1 Nov 2002: The locations of the atoms are marked by crosses. We have chosen bulk crystalline silicon to test the performance of the basis set on an extended system.

25 Oct 2002: A test for Diels-Alder reactions and Pt(P(t-Bu)(3))(2)H-2 oxidative addition", J. Phys. ... Chem. 100, 19357 (1996);. T. Matsubara, S. Sieber and K. Morokuma, "A test of the new 'integrated M0MM' (IMOMM) method for the conformational energy of ethane and

30 Sep 2016: In fact, current applications of quantum mechanics to biosystems do not really test for the existence of such effects, because of the degree of approximation that is involved in the theories

28 Jan 1998: If valid, this would be of greater significance than homeopathy itself, and it attests to the limited vision of the modern scientific community that, far from hastening to test such claims,

3 Nov 2009: S.J. Freedman and J.F. Clauser, "Experimental Test of Local Hidden-Variable Theories," Phys.

28 Dec 1997: Contrary to Benveniste's expectations the experiment was successful, and confirmed by further tests.

6 Sep 2017: from bonded slavery;. So my lately-shuttered mind,. Bewildereld, still half-blind,. Tests its slow returning strength;.

30 Apr 2024: Test the high cycle fatigue stress. Specification temperature. Probabilistic neural network identification of an alloy for direct laser depositionB.

21 Nov 2022: These output properties consisted of eight sets of tests, with each test run at both a high (approx. ... Fig. 1. The coefficient of determination in prediction of each output property against the holdout test set, showing predictions of both high and low

14 May 2002: In other words, language use presupposes that a listener will generate an equivalent and be predisposed to act as if the information came from a different source, this providing a test

7 May 2024: Test the defect density. Probabilistic neural network identification of an alloy for direct laser depositionMaterials & Design 168, 107644 (2019).

21 Nov 2022: and test sets, from an average R2 of 0.41 to 0.30. ... subject to greater inter-individual variability between test subjects. Nonetheless, Alchemite Imputation model.

20 Jan 2017: Experimental tests. STM in thin films log2 distribution. Transport to test higher global Tc.

8 Jan 2016: Electronic Structure and Impact. Mike Payne mcp1@cam.ac.uk. Government/Research Council speak = economic and/or social impact. ... from the research based to economic benefits.’ •Significant use of DFT in combination with other methods.

11 May 2002: Consequently, light water can not be used as a null (blank) test of the method as some people have suggested. ... O electrolyte. To test this idea, they loaded a Pd electrode in D.

19 Feb 2021: data. This includes data on the properties of powders and raw materials, machine build parameters, post-build processing data, test results for AM parts, and simulation datafrom the Ansys AM simulation

21 Nov 2022: forest methods,and evaluated using an independent test set of 213compounds, which was found to compare favorably to. ... The test setwas not used during training and hyperparameter optimiza-tion. Table 1 describes number of compounds in the training.

9 May 2017: I might add further that once upon a time someone did a test that showed clearly that he was being targeted by the archive; if he changed his email address so ... Thus we see the blocking of papers which had already demonstrated their admissibility to

4 Feb 2022: These output properties consisted of eight sets of tests, with each test run at both a high (approx. ... Fig. 1. The coefficient of determination in prediction of each output property against the holdout test set, showing predictions of both high and low

4 Nov 2021: Because it is real-world data:. You cannot test every build for every property. ... Dramatically reduce experiments required to identify the right process parameters. Use Alchemite machine learning to guide its test program.

8 Jan 2016: Pablo López Ŕıos slice-opt-matic. MotivationMethod & tests. SummaryBackground. Wave function optimization and system size. ... Pablo López Ŕıos slice-opt-matic. MotivationMethod & tests. Summary. MethodTests. Test system.

24 Aug 2020:  Test the formalism against a series of well-established results Study the Little Parks effect and magnetoresistance peak.

24 Aug 2020:  Test the formalism against a series of well-established results Study the Little Parks effect and magnetoresistance peak.

26 Feb 2018: rfcat /castor/cern.ch/user/d/demine/test.hepmc.gz | gunzip |. /DelphesHepMC card.tcl output.root. curl http://cp3.irmp.ucl.ac.be/demin/test.hepmc.gz | gunzip |. /DelphesHepMC card.tcl

30 Apr 2018: preparation for admissions tests and interviews. An admissions test was adopted by. ... tests, if applicable. If the college you are applying for does not have another test at.

24 Aug 2020: Finally,we have made a specific prediction to test our analysis. G.

15 Oct 2022: Because this data comes from diverse sources and tests, ittends to be ‘sparse’, causing problems for conventionalmachine learning.

15 Oct 2012: As a verysimple example, even the formation energy of the comparatively sim-ple neutral vacancy in Germanium V 0Ge tests the robustness of DFT to-tal energy methods, since the defect

15 Apr 2022: compounds (312 compounds) with latest synthesis date were separated into the test set. ... Table 1 describes number of. compounds in the training and test set for all endpoints.