Francisco Bolivar Correto Machado

34PUBLICATIONS
41CO-AUTHORS
Theoretical quantum chemistryElectrochemical energy storage and conversionElectrical energy generation (incl. renewables, excl. photovoltaics)Te mātākōrero, te kawe kōrero me te tuhituhi ngaio o te Māori (Māori literature, journalism and professional writing)Quantum computation
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Publications (34)

|Sep 24, 2026
A data-efficient machine-learning approach for modeling the photodynamics of all-trans hexatriene based on multireference configuration interaction calculations.

|May 04, 2026
Low-Lying Excited States of Linear All-Trans Polyenes: Insights from Analytic Gradient and Nonadiabatic Coupling Calculations Based on Multireference Configuration Interaction.

|Feb 09, 2026
Tuning Heptazine-Based g‑C3N4 Structures for Photocatalysis by Enhancing Chemical Stability and Electron-Hole Pair Separation: A Computational Study.

Leticia C S Faria, Aditya N Raju, Julio C V Chagas

|Sep 22, 2025
Exploring the Mechanism of Ammonium Dinitramide Synthesis through DFT Calculations.

Letícia M S V Queiroz, Gabriel F S Fernandes, Josiane R C Silva

|Sep 20, 2025
Stability and Reactivity of TiO 2 n $$ {\left({\mathrm{TiO}}_2\right)}_n $$ , n = 1-10, Clusters and Their Interactions With CO 2 $$ {\mathrm{CO}}_2 $$.

Letícia Carolaine Silva Faria, Letícia Marques de Souza Vetrano de Queiroz, Murielly Fernanda Ribeiro Bihain

|Jul 08, 2025
COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin-Orbit Couplings and Dynamics.

Felix Plasser, Hans Lischka, Ron Shepard

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Frequent Collaborators

16 joint publications

Hans Lischka

15 joint publications

Adélia J A Aquino

12 joint publications

Luiz Fernando de Araujo Ferrão

8 joint publications

Julio C V Chagas