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M

Max Pinheiro

aix marseille university and cnrs and icr

15H指数
101论文数
943被引数
收录论文 16
发表时间
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Uncertainty Calibration in Molecular Machine Learning: Comparing Evidential and Ensemble Approaches
errChemistry – A European Journal
IF3.7
err2026-02-04
err0
errOAAI
errBidhan Chandra Garain; Max Pinheiro Jr.; Matheus de Oliveira Bispo; Mario Barbatti
err分享
err收藏
MELTS: Fully Automated Active Learning for Fewest-Switches Surface Hopping DynamicsMELTS：最少切换表面跳跃动力学完全自动化的主动学习
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-11-01
err0
PREAI
errBispo, Matheus de Oliveira; Souza Mattos, Rafael; Pinheiro, Max; Garain, Bidhan Chandra; Dral, Pavlo O.; Barbatti, Mario
err分享
err收藏
Machine Learning for Nonadiabatic Molecular Dynamics: Best Practices and Recent Progress非绝热分子动力学中的机器学习：最佳实践与最新进展
errChem. Sci.
IF7.4
err2025-09-07
err0
errOAAI
errCarolin Müller; Štěpán Sršeň; Brigitta Bachmair; Rachel Crespo-Otero; Jingbai Li; Sascha Mausenberger; Max Pinheiro, Jr.; Graham Worth; Steven A. Lopez; Julia Westermayr
err分享
err收藏
Thermally Activated Delayed Fluorescence in B,N-Substituted Tetracene Derivatives: A Theoretical Pathway to Enhanced OLED Materials热活化延迟荧光在B,N-取代四氢萘衍生物中的表现：提升OLED材料性能的理论途径
errJOURNAL OF PHYSICAL CHEMISTRY A
IF2.8
err2025-01-06
err0
PREAI
errPimentel, J. V. M.; Chagas, J. C. V.; Pinheiro, M.; Aquino, A. J. A.; Lischka, H.; Machado, F. B. C.
err分享
err收藏
ULaMDyn: enhancing excited-state dynamics analysis through streamlined unsupervised learning
errDIGITAL DISCOVERY
IF5.6
err2025-01-01
err0
errOAAI
errPinheiro Jr, Max; Bispo, Matheus de Oliveira; Mattos, Rafael S.; do Casal, Mariana Telles; Garain, Bidhan Chandra; Toldo, Josene M.; Mukherjee, Saikat; Barbatti, Mario
err分享
err收藏
MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and WorkflowsMLatom 3: 用于机器学习增强的计算化学模拟和工作流程的平台
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-01-25
err20
errOAAI
errDral, Pavlo O.; Ge, Fuchun; Hou, Yi-Fan; Zheng, Peikun; Chen, Yuxinxin; Barbatti, Mario; Isayev, Olexandr; Wang, Cheng; Xue, Bao-Xin; Pinheiro Jr, Max; Su, Yuming; Dai, Yiheng; Chen, Yangtao; Zhang, Lina; Zhang, Shuang; Ullah, Arif; Zhang, Quanhao; Ou, Yanchi
err分享
err收藏
Recommendations for Velocity Adjustment in Surface Hopping
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-01-11
err16
errOAAI
errToldo, Josene M.; Mattos, Rafael S.; Pinheiro Jr, Max; Mukherjee, Saikat; Barbatti, Mario
err分享
err收藏
A multi-descriptor analysis of substituent effects on the structure and aromaticity of benzene derivatives: π-Conjugation versus charge effects
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2023-12-28
err2
PREAI
errChagas, Julio C. V.; Milanez, Bruno D.; Oliveira, Vytor P.; Pinheiro Jr, Max; Ferrao, Luiz F. A.; Aquino, Adelia J. A.; Lischka, Hans; Machado, Franciso B. C.
err分享
err收藏
Structural stability and the low-lying singlet and triplet states of BN-n-acenes, n=1-7
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2022-11-14
err1
errOAAI
errMilanez, Bruno D.; dos Santos, Gustavo M.; Pinheiro, Max, Jr.; Ueno, Leonardo T.; Ferrao, Luiz F. A.; Aquino, Adelia J. A.; Lischka, Hans; Machado, Francisco B. C.
err分享
err收藏
Newton-X Platform: New Software Developments for Surface Hopping and Nuclear EnsemblesNewton-x平台: 用于表面跳跃和核合奏的新软件开发
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-10-04
err55
errOAAI
errBarbatti, Mario; Bondanza, Mattia; Crespo-Otero, Rachel; Demoulin, Baptiste; Dral, Pavlo O.; Granucci, Giovanni; Kossoski, Fabris; Lischka, Hans; Mennucci, Benedetta; Mukherjee, Saikat; Pederzoli, Marek; Persico, Maurizio; Pinheiro, Max; Pittner, Jiri; Plasser, Felix; Gil, Eduarda Sangiogo; Stojanovic, Ljiljana
err分享
err收藏
Simulations of molecular photodynamics in long timescales
errPHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
IF3.7
err2022-03-28
err22
errOAAI
errMukherjee, Saikat; Pinheiro Jr, Max; Demoulin, Baptiste; Barbatti, Mario
err分享
err收藏
MLatom 2: An Integrative Platform for Atomistic Machine Learning
errTOPICS IN CURRENT CHEMISTRY
IF8.8
err2021-06-08
err39
errOAAI
errDral, Pavlo O.; Ge, Fuchun; Xue, Bao-Xin; Hou, Yi-Fan; Pinheiro, Max, Jr.; Huang, Jianxing; Barbatti, Mario
err分享
err收藏
Choosing the right molecular machine learning potential
errCHEMICAL SCIENCE
IF7.4
err2021-01-01
err109
errOAAI
errPinheiro, Max, Jr.; Ge, Fuchun; Ferre, Nicolas; Dral, Pavlo O.; Barbatti, Mario
err分享
err收藏
A systematic analysis of excitonic properties to seek optimal singlet fission: the BN-substitution patterns in tetracene
errJOURNAL OF MATERIALS CHEMISTRY C
IF5.1
err2020-01-01
err28
errOAAI
errPinheiro, Max, Jr.; Machado, Francisco B. C.; Plasser, Felix; Aquino, Adelia J. A.; Lischka, Hans
err分享
err收藏
Singlet La and Lb Bands for N-Acenes (N=2-7): A CASSCF/CASPT2 Study
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-08-02
err33
PREAI
errBettanin, Fernanda; Ferrao, Luiz F. A.; Pinheiro, Max, Jr.; Aquino, Adelia J. A.; Lischka, Hans; Machado, Francisco B. C.; Nachtigallova, Dana
err分享
err收藏
Length dependence of ionization potentials of transacetylenes: Internally consistent DFT/GW approach
errPHYSICAL REVIEW B
IF3.7
err2015-11-18
err30
errOAAI
errPinheiro, Max, Jr.; Caldas, Marilia J.; Rinke, Patrick; Blum, Volker; Scheffler, Matthias
err分享
err收藏

研究方向

暂时未获取到该数据
合作学者
合作期刊
M
Matthias Scheffler
H 指数: 133 · 论文数: 1.0K
S
Shuang Zhang
H 指数: 101 · 论文数: 1.1K
B
Benedetta Mennucci
H 指数: 84 · 论文数: 566
王
王程 (Cheng Wang)
H 指数: 80 · 论文数: 570
H
Hans Lischka
H 指数: 74 · 论文数: 444
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