5,920 research outputs found
Correspondence: QIU Ping to Julia Turrell on Recent Two Works and the Upcoming Guggenheim Exhibition
The second page of the file corresponds to the back of the original letter. (Jerry Wu\u2723).https://digital.kenyon.edu/zhoudocs/1215/thumbnail.jp
Resume: QIU Ping
This resume is scripted in English. (Jerry Wu\u2723).https://digital.kenyon.edu/zhoudocs/1212/thumbnail.jp
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Bond-Order Time Series Analysis for Detecting Reaction Events in Ab Initio Molecular Dynamics Simulations.
Ab initio molecular dynamics is able to predict novel reaction mechanisms by directly observing the individual reaction events that occur in simulation trajectories. In this article, we describe an approach for detecting reaction events from simulation trajectories using a physically motivated model based on time series analysis of ab initio bond orders. We found that applying a threshold to the bond order was insufficient for accurate detection, whereas peak finding on the first time derivative resulted in significantly improved accuracy. The model is trained on a reference set of reaction events representing the ideal result given unlimited computing resources. Our study includes two model systems: a heptanylium carbocation that undergoes hydride shifts and an unsaturated iron carbonyl cluster that features CO ligand migration and bridging behavior. The results indicate a high level of promise for this analysis approach to be used in mechanistic analysis of reactive AIMD simulations more generally
Exhibition Pamphlet: Chinese Gate
This exhibition file includes (1) a brief biographical account of Qiu, (2) two art writers\u27 essays, (3) one essay by artist Qiu herself, and (4) catalogue of selected works. The brochure is scripted in German, English, and Chinese. (Jerry Wu\u2723).https://digital.kenyon.edu/zhoudocs/1214/thumbnail.jp
Artist Note on Selected Works
This artist note discusses (at least) three works of Qiu (maybe more; if so, pardon the archiver\u27s lack of German proficiency): Chinese Gate , A Thousand Hands , and Cooking Pot . The document is scripted in German. (Jerry Wu\u2723).https://digital.kenyon.edu/zhoudocs/1213/thumbnail.jp
Existence of solutions for a class of fourth-order m-point boundary value problems
Some existence criteria are established for a class of fourth-order -point boundary value problem by using the upper and lower solution method and the Leray-Schauder continuation principle
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