FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2980969843> ?p ?o ?g. }

• W2980969843 endingPage "9611" @default.
• W2980969843 startingPage "9600" @default.
• W2980969843 abstract "We implemented a gradient-based algorithm for finding minimum energy paths (MEPs) using Gaussian process regression (GPR). A subsequent search for transition states can be performed very fast. We describe the algorithm in detail and compare its performance to the nudged elastic band (NEB) method in 27 test systems. Additionally, three different possibilities for an initial guess of the path are evaluated. We found the new optimizer to considerably decrease the number of required energy and gradient evaluations." @default.
• W2980969843 created "2019-10-25" @default.
• W2980969843 creator A5056979833 @default.
• W2980969843 creator A5073837806 @default.
• W2980969843 creator A5085474973 @default.
• W2980969843 date "2019-10-16" @default.
• W2980969843 modified "2023-10-06" @default.
• W2980969843 title "Gaussian Process Regression for Minimum Energy Path Optimization and Transition State Search" @default.
• W2980969843 cites W1486164486 @default.
• W2980969843 cites W1512716428 @default.
• W2980969843 cites W1531674615 @default.
• W2980969843 cites W1977178778 @default.
• W2980969843 cites W1979348555 @default.
• W2980969843 cites W1979394106 @default.
• W2980969843 cites W1982703140 @default.
• W2980969843 cites W1983132551 @default.
• W2980969843 cites W1986614779 @default.
• W2980969843 cites W1998206772 @default.
• W2980969843 cites W1999527055 @default.
• W2980969843 cites W2005136695 @default.
• W2980969843 cites W2027405048 @default.
• W2980969843 cites W2029413789 @default.
• W2980969843 cites W2030687437 @default.
• W2980969843 cites W2038210983 @default.
• W2980969843 cites W2039948490 @default.
• W2980969843 cites W2040736525 @default.
• W2980969843 cites W2045273690 @default.
• W2980969843 cites W2051434435 @default.
• W2980969843 cites W2051669046 @default.
• W2980969843 cites W2055139281 @default.
• W2980969843 cites W2059931778 @default.
• W2980969843 cites W2065251521 @default.
• W2980969843 cites W2073314907 @default.
• W2980969843 cites W2077973224 @default.
• W2980969843 cites W2078409719 @default.
• W2980969843 cites W2081159460 @default.
• W2980969843 cites W2084252775 @default.
• W2980969843 cites W2085465183 @default.
• W2980969843 cites W2086957099 @default.
• W2980969843 cites W2094642658 @default.
• W2980969843 cites W2095165857 @default.
• W2980969843 cites W2100052098 @default.
• W2980969843 cites W2103111465 @default.
• W2980969843 cites W2109455667 @default.
• W2980969843 cites W2122427541 @default.
• W2980969843 cites W2312772313 @default.
• W2980969843 cites W2329555286 @default.
• W2980969843 cites W2537997428 @default.
• W2980969843 cites W2547447472 @default.
• W2980969843 cites W2571886965 @default.
• W2980969843 cites W2604874722 @default.
• W2980969843 cites W2725390203 @default.
• W2980969843 cites W2768698200 @default.
• W2980969843 cites W2788830470 @default.
• W2980969843 cites W2791732112 @default.
• W2980969843 cites W2792126365 @default.
• W2980969843 cites W2792137452 @default.
• W2980969843 cites W2898206326 @default.
• W2980969843 cites W2942194104 @default.
• W2980969843 cites W2962872055 @default.
• W2980969843 cites W3100323378 @default.
• W2980969843 cites W3103364005 @default.
• W2980969843 cites W4254115559 @default.
• W2980969843 doi "https://doi.org/10.1021/acs.jpca.9b08239" @default.
• W2980969843 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31617719" @default.
• W2980969843 hasPublicationYear "2019" @default.
• W2980969843 type Work @default.
• W2980969843 sameAs 2980969843 @default.
• W2980969843 citedByCount "18" @default.
• W2980969843 countsByYear W29809698432020 @default.
• W2980969843 countsByYear W29809698432021 @default.
• W2980969843 countsByYear W29809698432022 @default.
• W2980969843 countsByYear W29809698432023 @default.
• W2980969843 crossrefType "journal-article" @default.
• W2980969843 hasAuthorship W2980969843A5056979833 @default.
• W2980969843 hasAuthorship W2980969843A5073837806 @default.
• W2980969843 hasAuthorship W2980969843A5085474973 @default.
• W2980969843 hasConcept C105795698 @default.
• W2980969843 hasConcept C111919701 @default.
• W2980969843 hasConcept C11413529 @default.
• W2980969843 hasConcept C119857082 @default.
• W2980969843 hasConcept C121332964 @default.
• W2980969843 hasConcept C121864883 @default.
• W2980969843 hasConcept C126255220 @default.
• W2980969843 hasConcept C147597530 @default.
• W2980969843 hasConcept C14961307 @default.
• W2980969843 hasConcept C163716315 @default.
• W2980969843 hasConcept C185592680 @default.
• W2980969843 hasConcept C186370098 @default.
• W2980969843 hasConcept C199360897 @default.
• W2980969843 hasConcept C2777735758 @default.
• W2980969843 hasConcept C33923547 @default.
• W2980969843 hasConcept C41008148 @default.
• W2980969843 hasConcept C48103436 @default.
• W2980969843 hasConcept C61326573 @default.
• W2980969843 hasConcept C81692654 @default.
• W2980969843 hasConcept C83546350 @default.
• W2980969843 hasConcept C98045186 @default.

• next