Výsledky vyhledávání - "Ghosh, Tushar"

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Slow Dephasing of Coherent Optical Phonons in Two-dimensional Lead Organic Chalcogenides

Autor: Yang, Hanjun, Mandal, Sagarmoy, Li, Bowen, Ghosh, Tushar Kanti, Peterson, Jonas Mark, Guo, Peijun, Dou, Letian, Chen, Ming, Huang, Libai

Hybrid organic-inorganic semiconductors with strong electron-phonon interactions provide a programmable platform for developing a variety of electronic, optoelectronic, and quantum materials by controlling these interactions. However, in current hybr

Externí odkaz: http://arxiv.org/abs/2409.00180

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Molecular Insights into the Water Dissociation and Proton Dynamics at the $\beta$-TaON (100)/Water Interface

Autor: Mandal, Sagarmoy, Ghosh, Tushar Kanti

Understanding the dynamic nature of the semiconductor-water interface is crucial for developing efficient photoelectrochemical water splitting catalysts, as it governs reactivity through charge and mass transport. In this study, we employ ab initio m

Externí odkaz: http://arxiv.org/abs/2405.00851

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Unbiasing Enhanced Sampling on a High-dimensional Free Energy Surface with Deep Generative Model

Autor: Liu, Yikai, Ghosh, Tushar K., Lin, Guang, Chen, Ming

Biased enhanced sampling methods utilizing collective variables (CVs) are powerful tools for sampling conformational ensembles. Due to high intrinsic dimensions, efficiently generating conformational ensembles for complex systems requires enhanced sa

Externí odkaz: http://arxiv.org/abs/2312.09404

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Understanding the polaritonic ground state in cavity quantum electrodynamics

Autor: Haugland, Tor S., Philbin, John P., Ghosh, Tushar K., Chen, Ming, Koch, Henrik, Narang, Prineha

Molecular polaritons arise when molecules interact so strongly with light that they become entangled with each other. This light-matter hybridization alters the chemical and physical properties of the molecular system and allows chemical reactions to

Externí odkaz: http://arxiv.org/abs/2307.14822

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Molecular van der Waals fluids in cavity quantum electrodynamics

Autor: Philbin, John P., Haugland, Tor S., Ghosh, Tushar K., Ronca, Enrico, Chen, Ming, Narang, Prineha, Koch, Henrik

Intermolecular van der Waals interactions are central to chemical and physical phenomena ranging from biomolecule binding to soft-matter phase transitions. However, there are currently very limited approaches to manipulate van der Waals interactions.

Externí odkaz: http://arxiv.org/abs/2209.07956

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Reweighted Manifold Learning of Collective Variables from Enhanced Sampling Simulations

Autor: Rydzewski, Jakub, Chen, Ming, Ghosh, Tushar K., Valsson, Omar

Publikováno v: J. Chem. Theory Comput. 2022, 18, 12, 7179-7192

Enhanced sampling methods are indispensable in computational physics and chemistry, where atomistic simulations cannot exhaustively sample the high-dimensional configuration space of dynamical systems due to the sampling problem. A class of such enha

Externí odkaz: http://arxiv.org/abs/2207.14554

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