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168篇 您的检索式:作者名="THOMPSON CS"
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1Performant implementation of the atomic cluster expansion(PACE)and application to copper and silicon显示文摘The atomic cluster expansion is a general polynomial expansion of the atomic energy in multi-atom basis functions.Here we implement the atomic cluster expansion in the performant C++code PACE that is suitable for use in large-scale atomistic simulations.We briefly review the atomic cluster expansion and give detailed expressions for energies and forces as well as efficient algorithms for their evaluation.We demonstrate that the atomic cluster expansion as implemented in PACE shifts a previously established Pareto front for machine learning interatomic potentials toward faster and more accurate calculations.Moreover,general purpose parameterizations are presented for copper and silicon and evaluated in detail.We show that the Cu and Si potentials significantly improve on the best available potentials for highly accurate large-scale atomistic simulations.Yury Lysogorskiy Cas van der Oord Anton Bochkarev Sarath Menon Matteo Rinaldi Thomas Hammerschmidt Matous Mrovec Aidan Thompson Gábor Csányi Christoph Ortner Ralf Drautz 2021npj Computational Materials2021,,1:3
2Minimally invasive follicular thyroid carcinoma显示文摘 Thompson LD 2001Endoer Pathol2001,12,4:1
3Islet cell carcinomas of the pancreas:a twenty-years experience显示文摘Thompson GB van Heerden JA Grant CS 1988Surgery1988,104,:1
4Laparoscopic versus open posterior adrenaleetomy : a case-control study of 100 patients 显示文摘Thompson GB Grant CS Van Heerden JA 1997Surgery1997,122,6:1
5Homocysteine enhances impairment of endothelium-dependent relaxation andguanosine cyclic monophosphate formation in aortae from diabetic rabbits显示文摘Shukla N Thompson CS Angelini GD 2002Diabetologia2002,45,9:1
6Diffuse sclerosing variant of papillary thyroid carcinoma: a clinicopathologic and immunophenotypic analysis of 22 cases 显示文摘Thompson LD Wieneke JA Heffess CS 2005Endoer Pathol2005,16,4:1
7Islet cell carcinomas of the pancreas:a Twenty-year experience 显示文摘Thompson GB Veerden JA Grant CS 1988Surgery1988,104,:1
8The effect of superoxide dismutase on nitric oxide mediated and electrical field-stimulated diabetic rabbit cavernosal smooth muscle re laxation显示文摘Khan MA Thompson CS Jeremy JY 2001BJU Int2001,87,1:1
9Papillary thyroid carcinoma managed at the Mayo Clinic during six decades (1940-1999) : tempo- rat trends in initial therapy and long-term outcome in 2444 consecu- tively treated patients显示文摘Hay ID Thompson GB Grant CS 2002World J Surg2002,26,8:1
10Autoradiographic localisation and contractile properties of prostatic endothelin receptors in patients with bladder outlet obstroction显示文摘Mumtaz FH Dashwood MR Thompson CS 2001Eur Urol2001,39,1:1
11Living beyond our physiological means: small vessel disease of the brain is an expression of a systemic failure in arteriolar function: a unifying hypothesis显示文摘THOMPSON CS HAKIM AM 2009Stroke2009,40,5:1
12Differential alterations of prostacyclin, cyclic AMP and cyclic GMP formation in the corpus cavemosum of the diabetic rabbit 显示文摘SULliVAN M THOMPSON CS MIKHAILIDIS DP 1998Br J Urol1998,82,4:1
13Prenatal and infant exposure to thimerosal from vaccines and immunoglobulins and risk of autism 显示文摘Price CS Thompson WW Goodson B 2010Pediatrics2010,126,4:1
14Homocysteine enhances impairment of endothelium-dependent relaxation and gnanosine cyclic monophosphate formation in aortae from diabetic rabbits显示文摘Shukla N Thompson CS Angelini GD 2002Diabetologia2002,45,:1
15Cutaneous vasoconstrictor responses to nor-epinephrine are attenuated in older humans显示文摘Thompson CS Holowatz LA Kenney WL 2005Am J Physiol Regul Integr Comp Physiol2005,288,5:1
16The effect of superoxide dismutase on nitric oxide-mediated and electrical field-stimulated diasbetic rabbit cavernosal smooth muscle relaxation显示文摘Khan MA Thompson CS Jeremy Jy 2001BJU Iht2001,87,1:1
17Laparoacopic versus open posterior adrenalectomy:A case-control study of 100patients显示文摘Thompson GB Grant CS van Heerden JA 1997Surgery1997,122,:1
18Micropartieles: bio- markers and beyond 显示文摘Burger D Schoek S Thompson CS 2013Clin Sci ( Lond)2013,124,7:1
19AI-2-mediated sig- nalling in bacteria 显示文摘Pereira CS Thompson JA Xavier KB 2013FEMS Microbiol Rev2013,37,2:1
20Current treatment of nodular goiter with hyperthyroidism(Plummet's disease) surgery versus radioiodine显示文摘Kang AS Grant CS Thompson GB 2002Surgery2002,132,6:1
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