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R
Rodolphe Vuilleumier
École Normale Supérieure and Sorbonne Université and CNRS
49
H指数
262
论文数
6.9K
被引数
0
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77
发表时间
发表时间
IF
被引数
Adenine Formation in Prebiotic Conditions from Ab Initio Machine Learning Calculations
ACS Earth and Space Chemistry
IF
2.9
2026-01-21
0
PRE
AI
Stefano Ferrero; Rodolphe Vuilleumier; Antonino Marco Saitta
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Vibrational Strong and Ultrastrong Cocoupling in Optical Microcavities
光学微腔中的振动强和超强耦合
ACS PHOTONICS
IF
6.7
2025-12-01
0
PRE
AI
Wang, Wei; Delsuc, Nicolas; de la Fuente Diez, Jaime; Lan, Xinyue; Tian, Duomei; Peng, Juan; Spezia, Riccardo; Vuilleumier, Rodolphe; Chen, Yong
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Constructing and explaining machine learning models for the exploration and design of boron-based Lewis acids
构建并解释用于硼基路易斯酸探索与设计的机器学习模型
Digital Discovery
IF
5.6
2025-10-06
0
OA
AI
Juliette Fenogli; Laurence Grimaud; Rodolphe Vuilleumier
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A tale of two codes: CUDA vs OpenACC for mass-zero constrained dynamics
两个代码的故事: 质量零约束动力学的CUDA vs OpenACC
INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS
IF
2.5
2025-04-01
0
PRE
AI
Vignolo, Alessia; Baird, Taylor James; Spiga, Filippo; Canevari, Claudia; Coretti, Alessandro; Vuilleumier, Rodolphe; Cavalli, Andrea; Bonella, Sara; Decherchi, Sergio
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The genesis of OH-stretching vibrational circular dichroism in chiral molecular crystals
手性分子晶体中OH伸缩振动的圆二色性的起源
CHEMICAL SCIENCE
IF
7.4
2025-01-01
0
OA
AI
Jaehnigen, Sascha; Vuilleumier, Rodolphe; Zehnacker, Anne
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Spectroscopic properties under vibrational strong coupling in disordered matter from path-integral Monte Carlo simulations
JOURNAL OF CHEMICAL PHYSICS
IF
3.1
2024-11-13
0
PRE
AI
Diez, Jaime de la Fuente; Spezia, Riccardo; Vuilleumier, Rodolphe
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Direct prediction of isotopic properties from molecular dynamics trajectories: Application to sulfide, sulfate and sulfur radical ions in hydrothermal fluids
从分子动力学轨迹直接预测同位素性质: 应用于热液中的硫化物,硫酸盐和硫自由基离子
CHEMICAL GEOLOGY
IF
3.6
2024-09-01
0
OA
AI
Blanchard, Marc; Desmaele, Elsa; Pokrovski, Gleb S.; Pinilla, Carlos; Meheut, Merlin; Vuilleumier, Rodolphe
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Balancing exploration and exploitation in de novo drug design
DIGITAL DISCOVERY
IF
5.6
2024-01-01
0
OA
AI
Langevin, Maxime; Bianciotto, Marc; Vuilleumier, Rodolphe
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Piezoelectric and microfluidic tuning of an infrared cavity for vibrational polariton studies
LAB ON A CHIP
IF
5.4
2024-01-01
1
PRE
AI
Wang, Wei; Diez, Jaime de la Fuente; Delsuc, Nicolas; Peng, Juan; Spezia, Riccardo; Vuilleumier, Rodolphe; Chen, Yong
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Predicting the charge density response in metal electrodes
PHYSICAL REVIEW MATERIALS
IF
3.4
2023-12-22
12
OA
AI
Grisafi, Andrea; Bussy, Augustin; Salanne, Mathieu; Vuilleumier, Rodolphe
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Rényi entropy of a quantum anharmonic chain at nonzero temperature
PHYSICAL REVIEW B
IF
3.7
2023-12-07
2
OA
AI
Srdinsek, Miha; Casula, Michele; Vuilleumier, Rodolphe
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Thermal dependence of the hydrated proton and optimal proton transfer in the protonated water hexamer
NATURE COMMUNICATIONS
IF
15.7
2023-10-30
3
OA
AI
Mouhat, Felix; Peria, Matteo; Morresi, Tommaso; Vuilleumier, Rodolphe; Saitta, Antonino Marco; Casula, Michele
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Quasi-classical simulations of resonance Raman spectra based on path integral linearization
JOURNAL OF CHEMICAL PHYSICS
IF
3.1
2023-07-10
1
OA
AI
Bessone, Hugo; Vuilleumier, Rodolphe; Spezia, Riccardo
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Study of Speciation and Transport Properties for Different Compositions of Carbonates in Li2CO3 -Na2CO3 and Li2CO3 -K2CO3 Binary Systems at High Temperature in Molten State
JOURNAL OF PHYSICAL CHEMISTRY C
IF
3.2
2023-06-01
3
PRE
AI
Zhadan, Antonii; Carof, Antoine; Sarou-Kanian, Vincent; del Campo, Leire; Cosson, Lionel; Vuilleumier, Rodolphe; Malki, Mohammed; Bessada, Catherine
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Influence of the environment on the infrared spectrum of alanine: An effective mode analysis
JOURNAL OF CHEMICAL PHYSICS
IF
3.1
2023-03-01
5
OA
AI
Bowles, Jessica; Jahnigen, Sascha; Vuilleumier, Rodolphe; Calvo, Florent; Clavaguera, Carine; Agostini, Federica
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Mass-zero constrained dynamics for simulations based on orbital-free density functional theory
JOURNAL OF CHEMICAL PHYSICS
IF
3.1
2022-12-05
1
OA
AI
Coretti, A.; Baird, T.; Vuilleumier, R.; Bonella, S.
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Hydrogen phase-IV characterization by full account of quantum anharmonicity
PHYSICAL REVIEW B
IF
3.7
2022-08-25
7
OA
AI
Morresi, Tommaso; Vuilleumier, Rodolphe; Casula, Michele
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Machine Learning Yield Prediction from NiCOlit, a Small-Size Literature Data Set of Nickel Catalyzed C-O Couplings
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF
15.6
2022-08-08
30
OA
AI
Schleinitz, Jules; Langevin, Maxime; Smail, Yanis; Wehnert, Benjamin; Grimaud, Laurence; Vuilleumier, Rodolphe
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Quantum Renyi entropy by optimal thermodynamic integration paths
PHYSICAL REVIEW RESEARCH
IF
4.2
2022-07-05
3
OA
AI
Srdinsek, Miha; Casula, Michele; Vuilleumier, Rodolphe
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Explaining and avoiding failure modes in goal-directed generation of small molecules
JOURNAL OF CHEMINFORMATICS
IF
5.7
2022-04-01
12
OA
AI
Langevin, Maxime; Vuilleumier, Rodolphe; Bianciotto, Marc
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研究方向
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合作学者
合作期刊
C
Carlo Adamo
H 指数: 87 · 论文数: 584
E
E. K. U. Gross
H 指数: 81 · 论文数: 459
王薇
(Wei Wang)
H 指数: 76 · 论文数: 602
M
Michiel Sprik
H 指数: 73 · 论文数: 241
A
Andrea Cavalli
H 指数: 72 · 论文数: 516
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