| 2025 |
Artigo em periódico |
Impact of Chloride and Bromide Composition in Ionic Liquid/Water Electrolytes on the Electrochemical Performance of Graphene-Based Supercapacitors: A Molecular Dynamics Study
Leonardo Bruno Assis OLIVEIRA; Lucas S SILVA; Henrique De Araujo CHAGAS; Tertius Lima Da FONSECA; Guilherme Colherinhas De OLIVEIRA
Journal of Physical Chemistry C
DOI 10.1021/acs.jpcc.5c01816
ISSN 1932-7447
|
PS
Physical and Theoretical Chemistry
|
| 2025 |
Artigo em periódico |
Versatility of Self-Assembling A6K Peptide Nanomembranes Under Thermal Variation: A Molecular Dynamics Analysis Across the 300-400 K Range
Karinna Mendanha SOARES; De Andrade Douglas X; Guilherme Colherinhas De OLIVEIRA
SURFACES AND INTERFACES
DOI 10.1016/j.surfin.2025.106746
ISSN 2468-0230
|
LS
Structural Biology
|
| 2025 |
Artigo em periódico |
Structural and electrochemical properties of graphene-based supercapacitors with water and methanol-co-solvated ionic liquids: a molecular dynamics study
Lucas De Sousa SILVA; Leonardo Bruno Assis OLIVEIRA; Tertius Lima Da FONSECA; Guilherme Colherinhas De OLIVEIRA
JOURNAL OF MOLECULAR LIQUIDS
DOI 10.1016/j.molliq.2025.128041
ISSN 0167-7322
|
PS
Process Chemistry and Technology
|
| 2025 |
Artigo em periódico |
Evaluation of Structural and Electrochemical Properties of Supercapacitors with Graphene Electrodes and Hydrated Pure or Mixed [bmim]-Based Ionic Liquids via Molecular Dynamics
Lucas De Sousa SILVA; Guilherme Colherinhas De OLIVEIRA
Acs Physical Chemistry Au
DOI 10.1021/acsphyschemau.5c00036
ISSN 2694-2445
|
PS
Physical and Theoretical Chemistry
|
| 2025 |
Artigo em periódico |
Insights into Antiviral Candidates against Oropouche Virus: A Molecular Dynamics Study
Guilherme Colherinhas De OLIVEIRA; Wesley Bueno CARDOSO
Acs Physical Chemistry Au
DOI 10.1021/acsphyschemau.5c00042
ISSN 2694-2445
|
LS
Molecular Biology
|
| 2025 |
Artigo em periódico |
Temperature dependence of electric double-layer structure and electrochemical properties in graphene supercapacitors with [emim][BF-] electrolyte: A molecular dynamics study
Henrique De Araujo CHAGAS; Guilherme Colherinhas De OLIVEIRA
CHEMICAL PHYSICS LETTERS
DOI 10.1016/j.cplett.2025.142325
ISSN 0009-2614
|
PS
Electrochemistry
|
| 2025 |
Artigo em periódico |
Modeling supercapacitors with integrated conductors via molecular dynamics: Optimization and impacts on energy efficiency
Henrique De Araujo CHAGAS; Tertius Lima Da FONSECA; Guilherme Colherinhas De OLIVEIRA
JOURNAL OF POWER SOURCES
DOI 10.1016/j.jpowsour.2025.238100
ISSN 0378-7753
|
LS
Biochemistry
|
| 2025 |
Artigo em periódico |
Exploring MXene Materials in Energy Storage Devices: A Review of Supercapacitor Applications
Lucas S SILVA; Eudes Eterno FILETI; Guilherme Colherinhas De OLIVEIRA
Acs Materials Au
DOI 10.1021/acsmaterialsau.5c00102
ISSN 2694-2461
|
PS
Renewable Energy; Sustainability and the Environment
|
| 2025 |
Artigo em periódico |
Computational analysis of KGAVK peptide nanorod model: High structural stability under low hydration
Karinna Mendanha SOARES; Guilherme Colherinhas De OLIVEIRA
JOURNAL OF MOLECULAR LIQUIDS
DOI 10.1016/j.molliq.2025.128515
ISSN 0167-7322
|
LS
Structural Biology
|
| 2025 |
Artigo em periódico |
Biodegradable ionic liquids in energy storage: Molecular insights into hydration-controlled performance in graphene-based supercapacitors
Matheus Rodrigues Novais DIAS; Matheus Andre De Jesus Oliveira AREBALO; Henrique De Araujo CHAGAS; Wesley Bueno CARDOSO; Guilherme Colherinhas De OLIVEIRA
CHEMICAL PHYSICS LETTERS
DOI 10.1016/j.cplett.2025.142440
ISSN 0009-2614
|
PS
Physical and Theoretical Chemistry
|
| 2025 |
Artigo em periódico |
Molecular Dynamics Study of Functionalized Gold Nanoparticles: Structural and Aggregation Behavior under Varying Ionic Strength
Esequias COELHO; Agnaldo Rosa De ALMEIDA; Douglas Xavier De ANDRADE; Guilherme Colherinhas De OLIVEIRA
Acs Physical Chemistry Au
DOI 10.1021/acsphyschemau.5c00077
ISSN 2694-2445
|
PS
Physical and Theoretical Chemistry
|
| 2025 |
Artigo em periódico |
Anisotropic Ferricyanide Ionic Liquids and Confined SCILLs for Selective CO 2</sub> Fixation via NHC-CO 2</sub> Mediated Catch-and-Release Catalysis
Camila P EBERSOL; Jonas X TORRES; Rafael P Das CHAGAS; Luciano M LIÃO; Muhammad NISAR et al
Journal of Physical Chemistry C
DOI 10.1021/acs.jpcc.5c06371
ISSN 1932-7447
|
PS
Catalysis
|
| 2025 |
Artigo em periódico |
Ester-Based Electrolyte Mixtures for Graphene Supercapacitors: A Molecular Dynamics Investigation
Lucas S SILVA; Guilherme Colherinhas De OLIVEIRA
JOURNAL OF PHYSICAL CHEMISTRY B
DOI 10.1021/acs.jpcb.5c06507
ISSN 1520-6106
|
PS
Physical and Theoretical Chemistry
|
| 2024 |
Trabalho em evento |
Avaliando o Desempenho de Supercapacitores à Base de Eletrodos Gêmeos e Não Gêmeos de Grafeno e Grafino
Henrique De Araujo CHAGAS; Thaciana MALASPINA; Eudes Eterno FILETI; Guilherme Colherinhas De OLIVEIRA
10º Simpósio de Estrutura Eletrônica e Dinâmica Molecular - SEEDMOL
|
PS
Process Chemistry and Technology
|
| 2024 |
Trabalho em evento |
Explorando Como as Dimensões do Sistema e as Condições Periódicas de Contorno Influenciam a Simulação de Dinâmica Molecular das Nanostruturas de Auto-Montagem do Peptídeo A6H
Karinna Mendanha SOARES; Guilherme Colherinhas De OLIVEIRA
10º Simpósio de Estrutura Eletrônica e Dinâmica Molecular - SEEDMOL
|
LS
Structural Biology
|
| 2024 |
Trabalho em evento |
Biodegradable electrolyte alternative for energy storage in supercapacitors
Lucas S SILVA; Guilherme Colherinhas De OLIVEIRA
10º Simpósio de Estrutura Eletrônica e Dinâmica Molecular - SEEDMOL
|
PS
Renewable Energy; Sustainability and the Environment
|
| 2024 |
Artigo em periódico |
Investigating ionic liquid hydration effects at high temperatures: Insights from classic molecular dynamics simulations
Leonardo Bruno Assis OLIVEIRA; Fonseca Tertius L; Guilherme Colherinhas De OLIVEIRA
JOURNAL OF MOLECULAR LIQUIDS
DOI 10.1016/j.molliq.2023.123662
ISSN 0167-7322
|
PS
Physical and Theoretical Chemistry
|
| 2024 |
Artigo em periódico |
DFT-based investigation of graphene-mediated manipulation for efficient potassium ion entanglement
Guilherme Colherinhas De OLIVEIRA; Wesley Bueno CARDOSO
CHEMICAL PHYSICS LETTERS
DOI 10.1016/j.cplett.2023.141056
ISSN 0009-2614
|
PS
Physical and Theoretical Chemistry
|
| 2024 |
Artigo em periódico |
Evaluating quantum entanglement generation in two¿dimensional graphene systems through lithium ion interactions: A DFT¿based study
Lucas S SILVA; Guilherme Colherinhas De OLIVEIRA; Wesley Bueno CARDOSO
JOURNAL OF COMPUTATIONAL CHEMISTRY
DOI 10.1002/jcc.27303
ISSN 0192-8651
|
PS
Physical and Theoretical Chemistry
|
| 2024 |
Artigo em periódico |
Theoretical study on symmetric and asymmetric stacking in the self-assembly of bola-amphiphilic peptides into membranes with mixtures of EF4E and KF4K
De Sousa Elias RAFAEL; Guilherme Colherinhas De OLIVEIRA
JOURNAL OF MOLECULAR LIQUIDS
DOI 10.1016/j.molliq.2024.124535
ISSN 0167-7322
|
LS
Molecular Biology
|
| 2024 |
Artigo em periódico |
Can Machine Learning efficiently predict Symmetry Breaking in Physical problems like Bose-Einstein Condensates?
Bruno M MIRANDA; Agnaldo Rosa De ALMEIDA; Ardiley Torres AVELAR; Wesley Bueno CARDOSO; Guilherme Colherinhas De OLIVEIRA
PHYSICA D-NONLINEAR PHENOMENA
DOI 10.1016/j.physd.2024.134198
ISSN 0167-2789
|
PS
Artificial Intelligence
|
| 2024 |
Artigo em periódico |
Solvent effects on the spectroscopic properties of cannabinoids derivatives: A theoretical study using
Richard Costa PRADO; Vs FILHO; Samanta A PORTES; Guilherme Colherinhas De OLIVEIRA; Leonardo Bruno Assis OLIVEIRA
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
DOI 10.1002/qua.27417
ISSN 0020-7608
|
PS
Physical and Theoretical Chemistry
|
| 2024 |
Artigo em periódico |
Employing molecular dynamics simulations and DFT calculations to elucidate the energetic; structural; and spectroscopic attributes of (poly)valines in water solution
Richard Costa PRADO; Karinna Mendanha SOARES; Leonardo Bruno Assis OLIVEIRA; Guilherme Colherinhas De OLIVEIRA
CHEMICAL PHYSICS LETTERS
DOI 10.1016/j.cplett.2024.141364
ISSN 0009-2614
|
PS
Physical and Theoretical Chemistry
|
| 2024 |
Artigo em periódico |
Selecting electronic transitions between graphyne and lithium ions for entanglement generation using new organic material
Lucas S SILVA; Wesley Bueno CARDOSO; Guilherme Colherinhas De OLIVEIRA
Computational and Theoretical Chemistry
DOI 10.1016/j.comptc.2024.114692
ISSN 2210-271X
|
PS
Physical and Theoretical Chemistry
|
| 2024 |
Artigo em periódico |
Exploring How System Dimensions and Periodic Boundary Conditions Influence the Molecular Dynamics Simulation of A H Peptide Self-Assembly Nanostructures
Karinna Mendanha SOARES; Guilherme Colherinhas De OLIVEIRA
JOURNAL OF PHYSICAL CHEMISTRY B
DOI 10.1021/acs.jpcb.4c03043
ISSN 1520-6106
|
LS
Biophysics
|