D. Guedes-Sobrinho

activity

20182026

most citedGENIUS: An Agentic AI Framework for Autonomous Design and Execution of Simulation Protocols

2 citations · 2 across the 7 of their papers we have counts for

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physics.chem-ph2025

Teaching a Transformer to Think Like a Chemist: Predicting Nanocluster Stability

João Marcos T. Palheta, Octavio Rodrigues Filho, Mohammad Soleymanibrojeni +6

Atomically precise metal nanoclusters bridge the molecular and bulk regimes, but designing bimetallic motifs with targeted stability and reactivity remains challenging. Here we com…

physics.chem-ph2018

Thermodynamic Stability and Structural Insights for CH $_{3}$ NH $_{3}$ Pb $_{1 - x}$ Si $_{x}$ I $_{3}$ , CH $_{3}$ NH $_{3}$ Pb $_{1 - x}$ Ge $_{x}$ I $_{3}$ , and CH $_{3}$ NH $_{3}$ Pb $_{1 - x}$ Sn $_{x}$ I $_{3}$ Hybrid Perovskite Alloys: A Statistical Approach from First Principles Calculations

Diego Guedes-Sobrinho, Ivan Guilhon, Marcelo Marques +1

The recent reaching of 20% of conversion efficiency by solar cells based on metal hybrid perovskites (MHP), e.g., the methylammonium (MA) lead iodide, CH3NH3PbI3 (MAPbI3), has exci…

Teaching a Transformer to Think Like a Chemist: Predicting Nanocluster Stability

Thermodynamic Stability and Structural Insights for CH3​NH3​Pb1−x​Six​I3​, CH3​NH3​Pb1−x​Gex​I3​, and CH3​NH3​Pb1−x​Snx​I3​ Hybrid Perovskite Alloys: A Statistical Approach from First Principles Calculations