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The Journal of Chemical Physics
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February 16, 2021
High-throughput design of Peierls and charge density wave phases in Q1D organometallic materials
Prakriti Kayastha, Raghunathan Ramakrishnan
The Journal of Chemical Physics
|
March 24, 2019
The chemical space of B, N-substituted polycyclic aromatic hydrocarbons: Combinatorial enumeration and high-throughput first-principles modeling
Sabyasachi Chakraborty, Prakriti Kayastha, Raghunathan Ramakrishnan
ACS Applied Energy Materials
|
December 30, 2024
A First-Principles Thermodynamic Model for the Ba-Zr-S System in Equilibrium with Sulfur Vapor
Prakriti Kayastha, Giulia Longo, Lucy D Whalley
The Journal of Physical Chemistry Letters
|
February 19, 2025
Octahedral Tilt-Driven Phase Transitions in BaZrS<sub>3</sub> Chalcogenide Perovskite
Prakriti Kayastha, Erik Fransson, Paul Erhart, et al.
Physical Review Letters
|
March 13, 2026
Diverse Polymorphism in Ruddlesden-Popper Chalcogenides
Prakriti Kayastha, Erik Fransson, Paul Erhart, et al.
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Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
February 16, 2021
High-throughput design of Peierls and charge density wave phases in Q1D organometallic materials
Prakriti Kayastha, Raghunathan Ramakrishnan
The Journal of Chemical Physics
|
March 24, 2019
The chemical space of B, N-substituted polycyclic aromatic hydrocarbons: Combinatorial enumeration and high-throughput first-principles modeling
Sabyasachi Chakraborty, Prakriti Kayastha, Raghunathan Ramakrishnan
ACS Applied Energy Materials
|
December 30, 2024
A First-Principles Thermodynamic Model for the Ba-Zr-S System in Equilibrium with Sulfur Vapor
Prakriti Kayastha, Giulia Longo, Lucy D Whalley
The Journal of Physical Chemistry Letters
|
February 19, 2025
Octahedral Tilt-Driven Phase Transitions in BaZrS<sub>3</sub> Chalcogenide Perovskite
Prakriti Kayastha, Erik Fransson, Paul Erhart, et al.
Physical Review Letters
|
March 13, 2026
Diverse Polymorphism in Ruddlesden-Popper Chalcogenides
Prakriti Kayastha, Erik Fransson, Paul Erhart, et al.
Page
of 1