Joshua Schrier
Overview
Explore the profile of Joshua Schrier including associated specialties, affiliations and a list of published articles.
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37
Citations
417
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Recent Articles
1.
Kim S, Schrier J, Jung Y
Angew Chem Int Ed Engl
. 2025 Feb;
:e202423950.
PMID: 39943898
We evaluate the ability of machine learning to predict whether a hypothetical crystal structure can be synthesized and explain those predictions to scientists. Fine-tuned large language models (LLMs) trained on...
2.
Ekosso C, Liu H, Glagovich A, Nguyen D, Maurer S, Schrier J
Langmuir
. 2025 Jan;
41(1):858-867.
PMID: 39810357
The first protocells are speculated to have arisen from the self-assembly of simple abiotic carboxylic acids, alcohols, and other amphiphiles into vesicles. To study the complex process of vesicle formation,...
3.
Augustine L, Wang Y, Adelman S, Batista E, Kozimor S, Perez D, et al.
ACS Sustain Chem Eng
. 2024 Nov;
12(45):16692-16699.
PMID: 39545104
Identifying improved and sustainable alternatives to "classic" separation techniques is an active research field due to its potential widespread impact in fundamental and applied chemistry. As basic purification methodologies, like...
4.
Kim S, Jung Y, Schrier J
J Am Chem Soc
. 2024 Jul;
146(29):19654-19659.
PMID: 38991051
We evaluate the effectiveness of pretrained and fine-tuned large language models (LLMs) for predicting the synthesizability of inorganic compounds and the selection of precursors needed to perform inorganic synthesis. The...
5.
Kim M, Ai Q, Norquist A, Schrier J, Chan E
ACS Nano
. 2024 May;
18(22):14514-14522.
PMID: 38776469
Ligands play a critical role in the optical properties and chemical stability of colloidal nanocrystals (NCs), but identifying ligands that can enhance NC properties is daunting, given the high dimensionality...
6.
Back S, Aspuru-Guzik A, Ceriotti M, Grynova G, Grzybowski B, Gu G, et al.
Digit Discov
. 2024 Jan;
3(1):23-33.
PMID: 38239898
In light of the pressing need for practical materials and molecular solutions to renewable energy and health problems, to name just two examples, one wonders how to accelerate research and...
7.
Schrier J, Norquist A, Buonassisi T, Brgoch J
J Am Chem Soc
. 2023 Sep;
145(40):21699-21716.
PMID: 37754929
Exceptional molecules and materials with one or more extraordinary properties are both technologically valuable and fundamentally interesting, because they often involve new physical phenomena or new compositions that defy expectations....
8.
Behnoudfar D, Simon C, Schrier J
J Phys Chem B
. 2023 Sep;
127(37):7964-7973.
PMID: 37682958
Aqueous, two-phase systems (ATPSs) may form upon mixing two solutions of independently water-soluble compounds. Many separation, purification, and extraction processes rely on ATPSs. Predicting the miscibility of solutions can accelerate...
9.
Yano J, Gaffney K, Gregoire J, Hung L, Ourmazd A, Schrier J, et al.
Nat Rev Chem
. 2023 Apr;
6(5):357-370.
PMID: 37117931
The physical sciences community is increasingly taking advantage of the possibilities offered by modern data science to solve problems in experimental chemistry and potentially to change the way we design,...
10.
Corfield P, Schrier J
Acta Crystallogr C Struct Chem
. 2023 Jan;
79(Pt 1):12-17.
PMID: 36602016
The title compound, [Al(CH)(CHN)H], crystallizes as eight-membered rings with -(CH)Al-(CH)N-(CH)Al- moieties connected by single hydride bridges. In the X-ray structure, the ring has a chair conformation, with the hydride H...