Biofuel from Algae: Is it a Viable Alternative?

2016 ◽  
pp. 135-148
Keyword(s):  
Viable Alternative

Minimally Empirical Double Hybrid Functionals Trained Against the GMTKN55 Database: revDSD-PBEP86-D4, revDOD-PBE-D4, and DOD-SCAN-D4

2019 ◽  
Author(s):  
Golokesh Santra ◽  
Nitai Sylvetsky ◽  
Gershom Martin
Keyword(s):  
Substantial Improvement ◽  
Viable Alternative ◽  
Mean Absolute Deviation ◽  
Dispersion Correction ◽  
Training Set ◽  
Weighted Mean ◽  
Absolute Deviation ◽  
Hybrid Functionals ◽  
Scaling Algorithms

We present a family of minimally empirical double-hybrid DFT functionals parametrized against the very large and diverse GMTKN55 benchmark. The very recently proposed wB97M(2) empirical double hybrid (with 16 empirical parameters) has the lowest WTMAD2 (weighted mean absolute deviation over GMTKN55) ever reported at 2.19 kcal/mol. However, our xrevDSD-PBEP86-D4 functional reaches a statistically equivalent WTMAD2=2.22 kcal/mol, using just a handful of empirical parameters, and the xrevDOD-PBEP86-D4 functional reaches 2.25 kcal/mol with just opposite-spin MP2 correlation, making it amenable to reduced-scaling algorithms. In general, the D4 empirical dispersion correction is clearly superior to D3BJ. If one eschews dispersion corrections of any kind, noDispSD-SCAN offers a viable alternative. Parametrization over the entire GMTKN55 dataset yields substantial improvement over the small training set previously employed in the DSD papers.

Minimally Empirical Double Hybrid Functionals Trained Against the GMTKN55 Database: revDSD-PBEP86-D4, revDOD-PBE-D4, and DOD-SCAN-D4

2019 ◽  
Author(s):  
Golokesh Santra ◽  
Nitai Sylvetsky ◽  
Gershom Martin
Keyword(s):  
Substantial Improvement ◽  
Viable Alternative ◽  
Mean Absolute Deviation ◽  
Dispersion Correction ◽  
Training Set ◽  
Weighted Mean ◽  
Absolute Deviation ◽  
Hybrid Functionals ◽  
Scaling Algorithms

We present a family of minimally empirical double-hybrid DFT functionals parametrized against the very large and diverse GMTKN55 benchmark. The very recently proposed wB97M(2) empirical double hybrid (with 16 empirical parameters) has the lowest WTMAD2 (weighted mean absolute deviation over GMTKN55) ever reported at 2.19 kcal/mol. However, our xrevDSD-PBEP86-D4 functional reaches a statistically equivalent WTMAD2=2.22 kcal/mol, using just a handful of empirical parameters, and the xrevDOD-PBEP86-D4 functional reaches 2.25 kcal/mol with just opposite-spin MP2 correlation, making it amenable to reduced-scaling algorithms. In general, the D4 empirical dispersion correction is clearly superior to D3BJ. If one eschews dispersion corrections of any kind, noDispSD-SCAN offers a viable alternative. Parametrization over the entire GMTKN55 dataset yields substantial improvement over the small training set previously employed in the DSD papers.

On Identifying the Problem of Evil and the Possibility of Its Theist Solution

2018 ◽  
Author(s):  
John Bishop
Keyword(s):  
Problem Of Evil ◽  
Rational Belief ◽  
Alternative Conception ◽  
Viable Alternative ◽  
Cognitive Level ◽  
The Problem Of Evil ◽  
The Face ◽  
Argument From Evil ◽  
Existential Problem ◽  
Foundational Problem

The argument of this chapter is that the foundational problem of evil is the existential problem of maintaining hopeful commitment to virtuous living in the face of all that may undermine human fulfilment. Dealing with this problem at the cognitive level involves commitment to a view of reality as favourable to practical commitment to ethical ideals. An intellectual problem of evil then arises to the extent that it seems that the fact of evil is evidence against the truth of the salvific worldview we are inclined to adopt for dealing with it. In relation to theism’s ‘revelatory’ worldview, this intellectual problem is expressible as an Argument from Evil. A ‘normatively relativized’ version of the Argument from Evil is proposed that seeks to exclude rational belief in the ‘personal omniGod’. As a viable alternative conception of God is possible, however, the Argument fails to justify outright atheism.

Qualitative Approaches in Internet-Mediated Research: Opportunities, Issues, Possibilities

2020 ◽  
pp. 632-673
Author(s):  
Claire Hewson
Keyword(s):  
Qualitative Research ◽  
21St Century ◽  
Quantitative Methods ◽  
Viable Alternative ◽  
Design Practice ◽  
Good Design ◽  
Practical Advice ◽  
Research Opportunities ◽  
Qualitative Approaches ◽  
Research Domains

Internet-mediated research (IMR) has grown expansively since the start of the 21st Century in scope, range of methodological possibilities, and breadth of penetration across disciplines and research domains. However, the use of IMR approaches to support qualitative research has lagged behind its application in supporting quantitative methods. This chapter discusses the possibilities of using IMR methods in qualitative research and considers the issues and debates that have led some qualitative researchers to be reluctant to consider IMR as a viable alternative to traditional offline methods. The chapter adopts an optimistic stance on the potential for qualitative IMR and outlines a range of possible methods and strategies, as well as examples of successful (and less successful) studies. Practical advice on tools, procedures, and guidelines for good design practice is offered. A comment on likely future scope, methods, emerging techniques, and developments in qualitative IMR is presented.

Sign in / Sign up

Export Citation Format

Share Document