3 papers
cond-mat.mtrl-sci2019
High-throughput Density Functional Perturbation Theory and Machine Learning Predictions of Infrared, Piezoelectric and Dielectric Responses
Kamal Choudhary, Kevin F. Garrity, Vinit Sharma +3
Many technological applications depend on the response of materials to electric fields, but available databases of such responses are limited. Here, we explore the infrared, piezoe…
cond-mat.mes-hall2019
Global alignment of solution-based single-wall carbon nanotube films via machine-vision controlled filtration
Joshua S. Walker, Jeffrey A. Fagan, Adam J. Biacchi +4
Over the past decade, substantial progress has been made in the chemical processing (chiral enrichment, length sorting, handedness selectivity, and filling substance) of single-wal…
cond-mat.mtrl-sci2018
High-throughput assessment of vacancy formation and surface energies of materials using classical force-fields
Kamal Choudhary, Adam J. Biacchi, Supriyo Ghosh +3
In this work, we present an open access database for surface and vacancy-formation energies using classical force-fields (FFs). These quantities are essential in understanding diff…