192 citations · 210 across the 4 of their papers we have counts for
4 papers
Hybrid-MPET: an open-source simulation software for hybrid electrode batteries
Qiaohao Liang, Martin Z. Bazant
As the design of single-component battery electrodes has matured, the battery industry has turned to hybrid electrodes with blends of two or more active materials to enhance batter…
Benchmarking the Performance of Bayesian Optimization across Multiple Experimental Materials Science Domains
Qiaohao Liang, Aldair E. Gongora, Zekun Ren +12
In the field of machine learning (ML) for materials optimization, active learning algorithms, such as Bayesian Optimization (BO), have been leveraged for guiding autonomous and hig…
Predicting antimicrobial activity of conjugated oligoelectrolyte molecules via machine learning
Armi Tiihonen, Sarah J. Cox-Vazquez, Qiaohao Liang +12
New antibiotics are needed to battle growing antibiotic resistance, but the development process from hit, to lead, and ultimately to a useful drug, takes decades. Although progress…
An invertible crystallographic representation for general inverse design of inorganic crystals with targeted properties
Zekun Ren, Siyu Isaac Parker Tian, Juhwan Noh +14
Realizing general inverse design could greatly accelerate the discovery of new materials with user-defined properties. However, state-of-the-art generative models tend to be limite…