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Exploring Li-ion conductivity in cubic, tetragonal and mixed-phase Al-substituted Li7La3Zr2O12 using atomistic simulations and effective medium theory
(2019-08-15)
Garnet Li7La3Zr2O12 (LLZO) is a promising solid electrolyte candidate for solid-state Li-ion batteries, but at room temperature it crystallizes in a poorly Li-ion conductive tetragonal phase. To this end, partial substitution ...
Functional Geometry of Human Connectomes
(2019-08)
Mapping the brain imaging data to networks, where nodes represent anatomical brain regions and edges indicate the occurrence of fiber tracts between them, has enabled an objective graph-theoretic analysis of human connectomes. ...
Modified Hamiltonian Monte Carlo for Bayesian Inference
(2019-07-22)
The Hamiltonian Monte Carlo (HMC) method has been recognized as a powerful sampling tool in computational statistics. We show that performance of HMC can be significantly improved by incorporating importance sampling and ...
Opportunities at the Intersection of Synthetic Biology, Machine Learning, and Automation
(2019-07)
Our inability to predict the behavior of biological systems severely hampers progress in bioengineering and biomedical applications. We cannot predict the effect of genotype changes on phenotype, nor extrapolate the ...
A concerted systems biology analysis of phenol metabolism in Rhodococcus opacus PD630
(2019-06)
Rhodococcus opacus PD630 metabolizes aromatic substrates and naturally produces branched-chain lipids, which are advantageous traits for lignin valorization. To provide insights into its lignocellulose hydrolysate utilization, ...
Computational Analysis of Pulsed Radiofrequency Ablation in Treating Chronic Pain
(2019-06)
In this paper, a parametric study has been conducted to evaluate the effects of frequency and duration of the short burst pulses during pulsed radiofrequency ablation (RFA) in treating chronic pain. Affecting the brain and ...
Radiofrequency Ablation for Treating Chronic Pain of Bones: Effects of Nerve Locations
(2019-05)
The present study aims at evaluating the effects of target nerve location from the bone tissue during continuous radiofrequency ablation (RFA) for chronic pain relief. A generalized three-dimensional heterogeneous computational ...
ART: A machine learning Automated Recommendation Tool for synthetic biology
(2019)
Biology has changed radically in the last two decades, transitioning from a descriptive science into a design science. Synthetic biology allows us to bioengineer cells to synthesize novel valuable molecules such as renewable ...
Chemoinformatic-guided engineering of polyketide synthases
(2019)
Polyketide synthase (PKS) engineering is an attractive method to generate new molecules such as commodity, fine and specialty chemicals. A central challenge in PKS design is replacing a partially reductive module with a ...
Lessons from Two Design–Build–Test–Learn Cycles of Dodecanol Production in Escherichia coli Aided by Machine Learning
(2019-01-01)
The Design–Build–Test–Learn (DBTL) cycle, facilitated by exponentially improving capabilities in synthetic biology, is an increasingly adopted metabolic engineering framework that represents a more systematic and efficient ...