activity
20132024
most citedCalibrating DFT formation enthalpy calculations by multi-fidelity machine learning

47 citations · 61 across the 6 of their papers we have counts for

collaborators

6 papers

eess.SY2024

Dynamic Optimization of Proton Exchange Membrane Water Electrolyzers Considering Usage-Based Degradation

Landon Schofield, Benjamin Paren, Ruaridh Macdonald +2

We present a techno-economic optimization model for evaluating the design and operation of proton exchange membrane (PEM) electrolyzers, crucial for hydrogen production powered by…

cs.CE2023★ 1 cited

Decarbonization of aviation via hydrogen propulsion: technology performance targets and energy system impacts

Anna Cybulsky, Florian Allroggen, Yang Shao-Horn +1

The aviation sector is challenging to decarbonize since aircraft require high power and energy per unit of weight. Liquid hydrogen is an interesting solution due to its high gravim…

cond-mat.mtrl-sci2023★ 1 cited

Multimodal machine learning for materials science: composition-structure bimodal learning for experimentally measured properties

Sheng Gong, Shuo Wang, Taishan Zhu +2

The widespread application of multimodal machine learning models like GPT-4 has revolutionized various research fields including computer vision and natural language processing. Ho…

cond-mat.mtrl-sci2023★ 4 cited

Correlated Terahertz phonon-ion interactions control ion conduction in a solid electrolyte

Kim H. Pham, Kiarash Gordiz, Natan A. Spear +9

Ionic conduction in solids that exceeds 1 mS/cm is predicted to involve coupled phonon-ion interactions in the crystal lattice. Here, we use theory and experiment to measure the po…

cond-mat.mtrl-sci2021★ 47 cited

Calibrating DFT formation enthalpy calculations by multi-fidelity machine learning

Sheng Gong, Shuo Wang, Tian Xie +3

Machine learning materials properties measured by experiments is valuable yet difficult due to the limited amount of experimental data. In this work, we use a multi-fidelity random…

physics.chem-ph2013★ 8 cited

Rate-dependent morphology of Li2O2 growth in Li-O2 batteries

B. Horstmann, B. Gallant, R. Mitchell +3

Compact solid discharge products enable energy storage devices with high gravimetric and volumetric energy densities, but solid deposits on active surfaces can disturb charge trans…