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The economic impact of molecular modelling
www.tcm.phy.cam.ac.uk/events/esdg/2014/Economic_impact.pdf8 Jan 2016: The report describes impact in terms of the aggregate improvements in welfare and enhanced economic growth. ... the modelling consumers. Also software as an industry has a direct economic impact. • -
Industry interactions of the electronic structure research community…
www.tcm.phy.cam.ac.uk/events/esdg/2014/PsiK_report.pdf8 Jan 2016: Pertinent findings of the economic impact report were that the dominant electronic structure. ... more costly experiments and materials tests. Some companies invest in research collaborations with. Results that match 1 of 2 words
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Beyond Quantum Theory
www.tcm.phy.cam.ac.uk/~bdj10/papers/urbino.html30 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 -
The ν Jastrow factor Thomas WhiteheadMarios MichaelGareth Conduit 9th …
www.tcm.phy.cam.ac.uk/~tmw38/nuJastrowPresentation.pdf9 Mar 2016: Future progress. Test in inhomogeneous systemThree-body version. Thomas Whitehead The ν Jastrow factor. ... Tests. Accuracy. Local energy. Efficiency. Summary. -
Electronic Structure and Impact Mike Payne mcp1@cam.ac.uk…
www.tcm.phy.cam.ac.uk/events/esdg/2014/Payne_Jan_2014.pdf8 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. -
Slicing a system for optimization in QMC
www.tcm.phy.cam.ac.uk/events/esdg/2014/Lopezrios_Feb_2014.pdf8 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. -
The ν Jastrow factor Thomas WhiteheadMarios MichaelGareth Conduit 9th …
www.tcm.phy.cam.ac.uk/events/esdg/2016/Whitehead_March_2016.pdf2 Jun 2016: Future progress. Test in inhomogeneous systemThree-body version. Thomas Whitehead The ν Jastrow factor. ... Tests. Accuracy. Local energy. Efficiency. Summary. -
PHYSICAL REVIEW A 93, 022706 (2016) Pseudopotentials for an ...
www.tcm.phy.cam.ac.uk/~tmw38/Whitehead16.pdf15 Feb 2016: 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. -
ESFCB 2012 Programme Booklet
www.tcm.phy.cam.ac.uk/~sea31/esfcb_booklet.pdf12 Aug 2016: We test our theory by comparing to simulations of a randomly distributed GP map, and of a more biologically motivated RNA secondary structure mapping, finding excellent quantitative agreement for a wide ... Model tests of the shape of the reconstructed -
PHYSICAL REVIEW B 94, 035157 (2016) Jastrow correlation factor ...
www.tcm.phy.cam.ac.uk/~tmw38/Whitehead16b.pdf3 Aug 2016: 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.
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