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Sponsored Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt

Author

Sayandeep Biswas

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Aug 2026

Computational design and machine learning assisted optimization of MXene-engineered MAPbI3/MASnI3 double-absorber perovskite solar cells

The proposed hybrid framework demonstrates a robust and computationally efficient pathway for designing high-efficiency perovskite solar cells, while highlighting the critical role of MXene-assisted interface engineering in enhancing device performance and defect tolerance.

Sayandeep Biswas, M. Shahnawaz, Pallab Debnath et al. · 0 citations
Aug 2026

Prediction of Relative Kinetic Solvent Effects for SN2 Reactions Using COSMO-RS.

Although ionic reactions comprise a major component of industrially relevant reactions, the prediction of their rate coefficients remains a challenge. Furthermore, existing ab initio kinetic modeling methods are primarily suited for gas-phase conformers and can be computationally expensive. In this work, we highlight a...

Jonathan W. Zheng, Sayandeep Biswas, Kariana Moreno Sader et al. · 0 citations
Open access Aug 2026

QuantumPioneer: Scalable Generation of Quantum Chemical Data for Solution-Phase Hydrogen Transfer Reactions.

High-fidelity quantum chemical (QM) data sets that jointly resolve reaction thermochemistry, kinetics, and solvation at scale remain scarce, especially for radical chemistry. We introduce QuantumPioneer, an open-access reaction-centered QM database and workflow for small organic molecules, focused on peroxyl-mediated h...

Haoyang Wu, Jonathan W. Zheng, Hao‐Wei Pang et al. · 2 citations

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