168 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- University of North Carolina at CharlotteUS3 papers
- Stanford UniversityUS2 papers
- University of DelawareUS2 papers
- University of MichiganUS2 papers
- University of OxfordGB2 papers
- ASV (United States)US1 paper
- Australian National UniversityAU1 paper
- Central Maine Community CollegeUS1 paper
- Centre National de la Recherche ScientifiqueFR1 paper
- CMCC Foundation - Euro-Mediterranean Center on Climate ChangeIT1 paper
- Economic Policy InstituteUS1 paper
- Electric Power Research InstituteUS1 paper
10 papers
Direct Deoxygenation of Phenol over Fe-based Bimetallic Surfaces using On-the-fly Surrogate Models
Isaac Onyango, Qiang Zhu
We present an accelerated nudged elastic band (NEB) study of phenol direct deoxygenation (DDO) on Fe-based bimetallic surfaces using a recently developed Gaussian process regressio…
BO-graphane and BO-diamane
Babu Ram, Rohit Anand, Arun S. Nissimagoudar +2
The adsorption of boron and oxygen atoms onto mono- and multi-layer graphene leads to the formation of a buckled graphene layer (BO-graphane) and a 2D diamond-like structure (BO-di…
AI-Assisted Rapid Crystal Structure Generation Towards a Target Local Environment
Osman Goni Ridwan, Sylvain Pitié, Monish Soundar Raj +4
In the field of material design, traditional crystal structure prediction approaches require extensive structural sampling through computationally expensive energy minimization met…
GPR_calculator: An On-the-Fly Surrogate Model to Accelerate Massive Nudged Elastic Band Calculations
Isaac Onyango, Byungkyun Kang, Qiang Zhu
We present GPR_calculator, a package based on Python and C++ programming languages to build an on-the-fly surrogate model using Gaussian Process Regression (GPR) to approximate exp…
Equity Implications of Net-Zero Emissions: A Multi-Model Analysis of Energy Expenditures Across Income Classes Under Economy-Wide Deep Decarbonization Policies
John Bistlinea, Chikara Onda, Morgan Browning +13
With companies, states, and countries targeting net-zero emissions around midcentury, there are questions about how these targets alter household welfare and finances, including di…
Exploring the feasibility of electric vehicle travel for remote communities in Australia
Keigan Demaria, Björn C. P. Sturmberg, Brad Riley +1
Remote communities in Australia face unique mobility challenges that stand to be further complicated by the transition from Internal Combustion Engine (ICE) vehicles to Electric Ve…
Predicting the impact of formation protocols on battery lifetime immediately after manufacturing
Andrew Weng, Peyman Mohtat, Peter M. Attia +4
Increasing the speed of battery formation can significantly lower lithium-ion battery manufacturing costs. However, adopting faster formation protocols in practical manufacturing s…
A Fast Diagnostic to Inform Screening of Discarded or Retired Batteries
Joseph A. Drallmeier, Clement Wong, Charles E. Solbrig +2
With the increased pervasiveness of Lithium-ion batteries, there is growing concern for the amount of retired batteries that will be entering the waste stream. Although these batte…
Estimation of Li-ion degradation test sample sizes required to understand cell-to-cell variability
Philipp Dechent, Samuel Greenbank, Felix Hildenbrand +3
Ageing of lithium-ion batteries results in irreversible reduction in performance. Intrinsic variability between cells, caused by manufacturing differences, occurs throughout life a…
On the Complexity of Equilibrium Computation in First-Price Auctions
Aris Filos-Ratsikas, Yiannis Giannakopoulos, Alexandros Hollender +2
We consider the problem of computing a (pure) Bayes-Nash equilibrium in the first-price auction with continuous value distributions and discrete bidding space. We prove that when b…