Optimisation of GaN LEDs and the reduction of efficiency droop using active machine learning

por Rouet-Leduc, Bertrand, Barros, Kipton, Lookman, Turab, Humphreys, Colin J.
Publicado 2016

Deep learning of dynamically responsive chemical Hamiltonians with semiempirical quantum mechanics

por Zhou, Guoqing, Lubbers, Nicholas, Barros, Kipton, Tretiak, Sergei, Nebgen, Benjamin
Publicado 2022

CP(2) skyrmions and skyrmion crystals in realistic quantum magnets

por Zhang, Hao, Wang, Zhentao, Dahlbom, David, Barros, Kipton, Batista, Cristian D.
Publicado 2023

The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for molecules

por Smith, Justin S., Zubatyuk, Roman, Nebgen, Benjamin, Lubbers, Nicholas, Barros, Kipton, Roitberg, Adrian E., Isayev, Olexandr, Tretiak, Sergei
Publicado 2020

Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learning

por Smith, Justin S., Nebgen, Benjamin T., Zubatyuk, Roman, Lubbers, Nicholas, Devereux, Christian, Barros, Kipton, Tretiak, Sergei, Isayev, Olexandr, Roitberg, Adrian E.
Publicado 2019

Predicting phosphorescence energies and inferring wavefunction localization with machine learning

por Sifain, Andrew E., Lystrom, Levi, Messerly, Richard A., Smith, Justin S., Nebgen, Benjamin, Barros, Kipton, Tretiak, Sergei, Lubbers, Nicholas, Gifford, Brendan J.
Publicado 2021

Automated discovery of a robust interatomic potential for aluminum

por Smith, Justin S., Nebgen, Benjamin, Mathew, Nithin, Chen, Jie, Lubbers, Nicholas, Burakovsky, Leonid, Tretiak, Sergei, Nam, Hai Ah, Germann, Timothy, Fensin, Saryu, Barros, Kipton
Publicado 2021

Machine-learning-assisted insight into spin ice Dy(2)Ti(2)O(7)

por Samarakoon, Anjana M., Barros, Kipton, Li, Ying Wai, Eisenbach, Markus, Zhang, Qiang, Ye, Feng, Sharma, V., Dun, Z. L., Zhou, Haidong, Grigera, Santiago A., Batista, Cristian D., Tennant, D. Alan
Publicado 2020

Anomalous magnetoresistance due to longitudinal spin fluctuations in a J(eff) = 1/2 Mott semiconductor

por Hao, Lin, Wang, Zhentao, Yang, Junyi, Meyers, D., Sanchez, Joshua, Fabbris, Gilberto, Choi, Yongseong, Kim, Jong-Woo, Haskel, Daniel, Ryan, Philip J., Barros, Kipton, Chu, Jiun-Haw, Dean, M. P. M., Batista, Cristian D., Liu, Jian
Publicado 2019