Kamal Choudhary
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Explore the profile of Kamal Choudhary including associated specialties, affiliations and a list of published articles.
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Recent Articles
11.
Wines D, Xie T, Choudhary K
J Phys Chem Lett
. 2023 Jul;
14(29):6630-6638.
PMID: 37462366
Finding new superconductors with a high critical temperature () has been a challenging task due to computational and experimental costs. We present a diffusion model inspired by the computer vision...
12.
Garrity K, Choudhary K
Phys Rev Mater
. 2023 Jun;
7(4).
PMID: 37274125
Parametrized tight-binding models fit to first-principles calculations can provide an efficient and accurate quantum mechanical method for predicting properties of molecules and solids. However, well-tested parameter sets are generally only...
13.
Gupta V, Choudhary K, Mao Y, Wang K, Tavazza F, Campbell C, et al.
J Chem Inf Model
. 2023 Mar;
63(7):1865-1871.
PMID: 36972592
The applications of artificial intelligence, machine learning, and deep learning techniques in the field of materials science are becoming increasingly common due to their promising abilities to extract and utilize...
14.
Choudhary K, Gurunathan R, DeCost B, Biacchi A
J Chem Inf Model
. 2023 Mar;
63(6):1708-1722.
PMID: 36857727
Computer vision techniques have immense potential for materials design applications. In this work, we introduce an integrated and general-purpose AtomVision library that can be used to generate and curate microscopy...
15.
Wines D, Choudhary K, Tavazza F
J Phys Chem C Nanomater Interfaces
. 2023 Feb;
127(2).
PMID: 36727030
The search for two-dimensional (2D) magnetic materials has attracted a great deal of attention because of the experimental synthesis of 2D CrI, which has a measured Curie temperature of 45...
16.
Wines D, Choudhary K, Biacchi A, Garrity K, Tavazza F
Nano Lett
. 2023 Jan;
23(3):969-978.
PMID: 36715314
High-throughput density functional theory (DFT) calculations allow for a systematic search for conventional superconductors. With the recent interest in two-dimensional (2D) superconductors, we used a high-throughput workflow to screen over...
17.
Nguyen N, Louis S, Wei L, Choudhary K, Hu M, Hu J
ACS Omega
. 2022 Aug;
7(30):26641-26649.
PMID: 35936410
Lattice vibrational frequencies are related to many important materials properties such as thermal and electrical conductivity as well as superconductivity. However, computational calculation of vibrational frequencies using density functional theory...
18.
Wang F, Choudhary K, Liu Y, Hu J, Hu M
Sci Data
. 2022 Feb;
9(1):59.
PMID: 35190537
Driven by the big data science, material informatics has attracted enormous research interests recently along with many recognized achievements. To acquire knowledge of materials by previous experience, both feature descriptors...
19.
Tavazza F, DeCost B, Choudhary K
ACS Omega
. 2021 Dec;
6(48):32431-32440.
PMID: 34901594
Uncertainty quantification in artificial intelligence (AI)-based predictions of material properties is of immense importance for the success and reliability of AI applications in materials science. While confidence intervals are commonly...
20.
Gupta V, Choudhary K, Tavazza F, Campbell C, Liao W, Choudhary A, et al.
Nat Commun
. 2021 Nov;
12(1):6595.
PMID: 34782631
Artificial intelligence (AI) and machine learning (ML) have been increasingly used in materials science to build predictive models and accelerate discovery. For selected properties, availability of large databases has also...