Description: This report is on the workshop 'Transformative Research: Ethical and Societal Implications'. Workshop conversations cluster under the four headings of the history and definitions, promotion, evaluation, and integration of transformative research (TR): 1. History and Definitions: The National Science Board's 2007 report (NSB-07-32) on transformative research called for more effort directed at defining TR. The present report offers additional context and clarity regarding meanings of the term. But it also argues that there are virtues in leaving the term open to multiple interpretations. 2. Promotion: The report welcomes new mechanisms for promoting TR, such as NSF 'CREATIV' grants. It embraces additional means for promoting TR, such as increased emphasis on interdisciplinary research, and explores how different interpretations of how TR occurs imply different strategies for promoting TR. It also calls for increased attention to the broader societal impacts of TR at the levels of policy, of NSF programs, and of individual research projects. 3. Evaluation: The report emphasizes the need to develop means for evaluating attempts to promote TR. It also concludes that research should be directed toward evaluating transformative research at the project level. 4. Integration: The report suggests that consideration of the broader societal impacts of TR be ...

Description: This is a Publisher's Note for the article 'Beyond the Death of Linear Response: 1/f Optimal Information Transport' [Phys. Rev. Lett. 105, 040601 (2010)].

Description: This article accompanies a poster presentation on the quantification of emotional bias by an Emotional-Gain model. The authors have developed a computational model that quantifies emotion objectively based on neurobiological mechanisms that increases the chance of survival in the real world. This model is based on the EMOTION-I and EMOTION-II models with the extension of proportionality hypothesis added to the desirable gain signal to these models.

Description: This article discusses quantitative computational thermochemistry of transition metal species. The correlation consistent Composite Approach (ccCA), which has been shown to achieve chemical accuracy (±1 kcal mol⁻¹) for a large benchmark set of main group and s-block metal compounds, is used to compute enthalpies of formation for a set of 17 3d transition metal species. The training set includes a variety of metals, ligands, and bonding types. Using the correlation consistent basis sets for the 3d transition metals, the authors find that gas-phase enthalpies of formation can be efficiently calculated for inorganic and organometallic molecules with ccCA. However, until the reliability of gas-phase transition metal thermochemistry is improved, both experimentally and theoretically, a large experimental training set where uncertainties are near ±1 kcal mol⁻¹ (akin to commonly used main group benchmarking sets) remains an ambitious goal. For now, an average deviation of ±3 kcal mol⁻¹ appears to be the initial goal of "chemical accuracy" for ab initio transition metal model chemistries. The ccCA is also compared to a more robust but relatively expensive composite approach primarily utilizing large basis set coupled cluster computations. For a smaller training set of eight molecules, ccCA has a mean absolute deviation (MAD) of 3.4 ...

Description: This presentation is part of the faculty lecture series UNT Speaks Out on the 2012 Presidential Primaries. In this presentation, the author discusses how members of different racial and ethnic backgrounds responded to the 2012 Republican primary candidates.