Rafael S. Mattos - Publications, H-index & Citations

Rafael S. Mattos

Aix Marseille University and CNRS

5H指数

30论文数

122被引数

收录论文 15

发表时间

Mixed Quantum–Classical Dynamics for Molecular Excited States: Reliability, Scalability, and Representation 分子激发态的混合量子-经典动力学：可靠性、可扩展性和表示

Wiley Interdisciplinary Reviews-Computational Molecular Science

IF27

2026-07-27

OAAI

Rafael S. Mattos; Mario Barbatti

Ultrafast Dynamics and Excited-State Trapping in [3.3]Paracyclophane

phys. chem. chem. phys.

IF0

2026-01-26

OAAI

Muhammad Tahir Hafeez; Rafael S. Mattos; Lea Ibele; Mario Barbatti

The quantum measurement problem: a review of recent trends 量子测量问题：近期趋势综述

Philosophical Magazine

IF1.5

2025-12-01

PREAI

Tomaz, Anderson A.; Mattos, Rafael S.; Barbatti, Mario

Surface Hopping with Fully Correlated Methods

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2025-12-01

PREAI

de Miranda, Ely G. F.; Souza Mattos, Rafael; Mukherjee, Saikat; Toldo, Josene M.; Choi, Cheol Ho; Varella, Marcio T. do N.; Barbatti, Mario

MELTS: Fully Automated Active Learning for Fewest-Switches Surface Hopping Dynamics MELTS：最少切换表面跳跃动力学完全自动化的主动学习

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2025-11-01

PREAI

Bispo, Matheus de Oliveira; Souza Mattos, Rafael; Pinheiro, Max; Garain, Bidhan Chandra; Dral, Pavlo O.; Barbatti, Mario

A Density Functional Theory and Semiempirical Framework for Trajectory Surface Hopping on Extended Systems 一种用于扩展系统轨迹曲面跳跃的密度泛函理论及半经验框架

Journal of Chemical Theory and Computation

IF5.5

2025-10-17

OAAI

Jan-Robert Vogt; Michael Schulz; Rafael Souza Mattos; Mario Barbatti; Maurizio Persico; Giovanni Granucci; Jürg Hutter; Anna Hehn

Legion: A Platform for Gaussian Wavepacket Nonadiabatic Dynamics

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2025-03-01

PREAI

Mattos, Rafael Souza; Mukherjee, Saikat; Barbatti, Mario

ULaMDyn: enhancing excited-state dynamics analysis through streamlined unsupervised learning

DIGITAL DISCOVERY

IF5.6

2025-01-01

OAAI

Pinheiro Jr, Max; Bispo, Matheus de Oliveira; Mattos, Rafael S.; do Casal, Mariana Telles; Garain, Bidhan Chandra; Toldo, Josene M.; Mukherjee, Saikat; Barbatti, Mario

Assessing Nonadiabatic Dynamics Methods in Long Timescales

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-12-16

PREAI

Mukherjee, Saikat; Lassmann, Yorick; Mattos, Rafael S.; Demoulin, Baptiste; Curchod, Basile F. E.; Barbatti, Mario

Quantum Dynamics from Classical Trajectories

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-09-05

PREAI

Mattos, Rafael S.; Mukherjee, Saikat; Barbatti, Mario

Prediction Challenge: Simulating Rydberg photoexcited cyclobutanone with surface hopping dynamics based on different electronic structure methods

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2024-04-16

OAAI

Mukherjee, Saikat; Mattos, Rafael S.; Toldo, Josene M.; Lischka, Hans; Barbatti, Mario

Recommendations for Velocity Adjustment in Surface Hopping

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-01-11

OAAI

Toldo, Josene M.; Mattos, Rafael S.; Pinheiro Jr, Max; Mukherjee, Saikat; Barbatti, Mario

On the Cooperative Origin of Solvent-Enhanced Symmetry-Breaking Charge Transfer in a Covalently Bound Tetracene Dimer Leading to Singlet Fission

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2022-12-19

PREAI

Mattos, Rafael S.; Burghardt, Irene; Aquino, Adelia J. A.; Cardozo, Thiago M.; Lischka, Hans

Encapsulation of Aromatic Guests in the Bisporphyrin Cavity of a Double-Stranded Spiroborate Helicate: Thermodynamic and Kinetic Studies and the Encapsulation Mechanism

JOURNAL OF ORGANIC CHEMISTRY

IF3.6

2021-07-20

PREAI

Ousaka, Naoki; Yamamoto, Shinya; Iida, Hiroki; Iwata, Takuya; Ito, Shingo; Souza, Rafael; Hijikata, Yuh; Irle, Stephan; Yashima, Eiji

Molecular Dynamics of the Ultrafast Excited-State Proton Transfer of the Super-Photoacid NM7HQ+ to the Aprotic Solvent DMSO 超分子酸NM7HQ+向无质子溶剂DMSO的超快激发态质子转移的分子动力学

physical chemistry letters

IF0

PREAI

Niklas Sülzner; Rafael Souza Mattos; Mario Barbatti

研究方向