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Fabio Pietrucci

institut de minéralogie de physique des matériaux et de cosmochimie

38H指数
149论文数
6.1K被引数
收录论文 65
发表时间
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Robust Conformational Space Exploration of Cyclic Peptides by Combining Different MD Protocols and Force Fields通过结合不同的MD协议和力场对环肽进行稳健的构象空间探索
errJournal of Chemical Theory and Computation
IF5.5
err2025-09-26
err0
errOAAI
errSamuel Murail; Jaysen Sawmynaden; Akli Zemirli; Maud Jusot; Fabio Pietrucci; Jacques Chomilier; Pierre Tufféry; Dirk Stratmann
err分享
err收藏
Fate of Cadmium and Lead Nitrates in Water硝酸镉和硝酸铅在水中的归宿
errThe Journal of Physical Chemistry B
IF0
err2025-07-07
err0
PREAI
errMauro Boero; Fabio Pietrucci; Wanda Andreoni
err分享
err收藏
Biaxial strain effect in the room temperature formation of 2D diamond from graphene stacks室温下从石墨烯堆栈中形成二维金刚石的双轴应变效应
errCARBON
IF11.6
err2025-05-01
err0
PREAI
errRajaji, V.; Galafassi, Riccardo; Hellani, Mohammad; Forestier, Alexis; Brigiano, Flavio Siro; Araujo, Bruno Sousa; Piednoir, Agnes; Diaf, Hatem; Maestre, Camille; Journet, Catherine; Pietrucci, Fabio; Souza Filho, Antonio Gomes; del Fatti, Natalia; Vialla, Fabien; San-Miguel, Alfonso
err分享
err收藏
PLUMED Tutorials: A collaborative, community-driven learning ecosystemPLUMED教程: 一个协作的，社区驱动的学习生态系统
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-03-07
err1
PREAI
errTribello, Gareth A.; Bonomi, Massimiliano; Bussi, Giovanni; Camilloni, Carlo; Armstrong, Blake I.; Arsiccio, Andrea; Aureli, Simone; Ballabio, Federico; Bernetti, Mattia; Bonati, Luigi; Brookes, Samuel G. H.; Brotzakis, Z. Faidon; Capelli, Riccardo; Ceriotti, Michele; Chan, Kam-Tung; Cossio, Pilar; Dasetty, Siva; Donadio, Davide; Ensing, Bernd; Ferguson, Andrew L.; Fraux, Guillaume; Gale, Julian D.; Gervasio, Francesco Luigi; Giorgino, Toni; Herringer, Nicholas S. M.; Hocky, Glen M.; Hoff, Samuel E.; Invernizzi, Michele; Languin-Cattoen, Olivier; Leone, Vanessa; Limongelli, Vittorio; Lopez-Acevedo, Olga; Marinelli, Fabrizio; Febrer Martinez, Pedro; Masetti, Matteo; Mehdi, Shams; Michaelides, Angelos; Murtada, Mhd Hussein; Parrinello, Michele; Piaggi, Pablo M.; Pietropaolo, Adriana; Pietrucci, Fabio; Pipolo, Silvio; Pritchard, Claire; Raiteri, Paolo; Raniolo, Stefano; Rapetti, Daniele; Rizzi, Valerio; Rydzewski, Jakub; Salvalaglio, Matteo; Schran, Christoph; Seal, Aniruddha; Shayesteh Zadeh, Armin; Silva, Tomas F. D.; Spiwok, Vojtech; Stirnemann, Guillaume; Sucerquia, Daniel; Tiwary, Pratyush; Valsson, Omar; Vendruscolo, Michele; Voth, Gregory A.; White, Andrew D.; Wu, Jiangbo
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Structural transitions at the bilayer graphene-methanol interface from ab initio molecular dynamics从第一性原理分子动力学模拟得到的双层石墨烯-甲醇界面处的结构转变
errPHYSICAL CHEMISTRY CHEMICAL PHYSICS
IF2.9
err2025-01-01
err0
PREAI
errBrigiano, Flavio Siro; Thevenet, Thomas; Markovits, Alexis; Contreras-Garcia, Julia; Miguel, Alfonso San; Pietrucci, Fabio
err分享
err收藏
Data-Driven Path Collective Variables
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-04-15
err8
errOAAI
errFrance-Lanord, Arthur; Vroylandt, Hadrien; Salanne, Mathieu; Rotenberg, Benjamin; Saitta, A. Marco; Pietrucci, Fabio
err分享
err收藏
Inferring free-energy barriers and kinetic rates from molecular dynamics via underdamped Langevin models
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-10-26
err1
PREAI
errGirardier, David Daniel; Vroylandt, Hadrien; Bonella, Sara; Pietrucci, Fabio
err分享
err收藏
CO2 Capture and Release in Amine Solutions: To What Extent Can Molecular Simulations Help Understand the Trends?胺溶液中的CO2捕获和释放: 分子模拟在多大程度上有助于理解趋势？
errMOLECULES
IF4.6
err2023-09-05
err4
errOAAI
errMa, Changru; Pietrucci, Fabio; Andreoni, Wanda
err分享
err收藏
Optimal Reaction Coordinates and Kinetic Rates from the Projected Dynamics of Transition Paths
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-08-07
err7
errOAAI
errMouaffac, Line; Palacio-Rodriguez, Karen; Pietrucci, Fabio
err分享
err收藏
Free energy calculations and unbiased molecular dynamics targeting the liquid-liquid transition in water no man's land
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-01-03
err4
PREAI
errJedrecy, Alexandre; Saitta, A. Marco; Pietrucci, Fabio
err分享
err收藏
Combining Machine Learning Approaches and Accurate Ab Initio Enhanced Sampling Methods for Prebiotic Chemical Reactions in Solution
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-08-05
err18
errOAAI
errDevergne, Timothee; Magrino, Theo; Pietrucci, Fabio; Saitta, A. Marco
err分享
err收藏
Free Energy Landscapes, Diffusion Coefficients, and Kinetic Rates from Transition Paths
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-07-28
err8
errOAAI
errPalacio-Rodriguez, Karen; Pietrucci, Fabio
err分享
err收藏
X-ray diffraction study of phase transformation dynamics of Fe and Fe-Si alloys along the shock Hugoniot using an x-ray free electron laser
errPHYSICAL REVIEW B
IF3.7
err2022-06-07
err3
errOAAI
errKrygier, A.; Harmand, M.; Albertazzi, B.; McBride, E. E.; Miyanishi, K.; Antonangeli, D.; Inubushi, Y.; Kodama, R.; Keoning, M.; Mogni, G.; Matsuoka, T.; Pietrucci, F.; Saitta, A. M.; Togashi, T.; Umeda, Y.; Vinci, T.; Yabashi, M.; Yabuuchi, T.; Fiquet, G.; Ozaki, N.
err分享
err收藏
Likelihood-based non-Markovian models from molecular dynamics来自分子动力学的基于似然的非马尔可夫模型
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2022-03-23
err23
errOAAI
errVroylandt, Hadrien; Goudenege, Ludovic; Monmarche, Pierre; Pietrucci, Fabio; Rotenberg, Benjamin
err分享
err收藏
Mechanism and Free-Energy Landscape of Peptide Bond Formation at the Silica-Water Interface
errACS CATALYSIS
IF13.1
err2022-02-11
err12
errOAAI
errBrigiano, Flavio Siro; Gierada, Maciej; Tielens, Frederik; Pietrucci, Fabio
err分享
err收藏
Impurity diffusion in magic-size icosahedral clusters
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-10-14
err13
errOAAI
errNelli, Diana; Pietrucci, Fabio; Ferrando, Riccardo
err分享
err收藏
How natural materials remove heavy metals from water: mechanistic insights from molecular dynamics simulations
errCHEMICAL SCIENCE
IF7.4
err2021-01-01
err13
errOAAI
errPietrucci, Fabio; Boero, Mauro; Andreoni, Wanda
err分享
err收藏
Prebiotic chemistry and origins of life research with atomistic computer simulations原子计算机模拟的益生元化学和生命起源研究
errPHYSICS OF LIFE REVIEWS
IF14.3
err2020-12-01
err32
errOAAI
errPerez-Villa, Andrea; Pietrucci, Fabio; Saitta, A. Marco
err分享
err收藏
Reply to comments on Prebiotic chemistry and origins of life research with atomistic computer simulations
errPHYSICS OF LIFE REVIEWS
IF14.3
err2020-12-01
err0
PREAI
errPerez-Villa, Andrea; Pietrucci, Fabio; Saitta, A. Marco
err分享
err收藏
Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-06-19
err131
errOAAI
errGkeka, Paraskevi; Stoltz, Gabriel; Farimani, Amir Barati; Belkacemi, Zineb; Ceriotti, Michele; Chodera, John D.; Dinner, Aaron R.; Ferguson, Andrew L.; Maillet, Jean-Bernard; Minoux, Herve; Peter, Christine; Pietrucci, Fabio; Silveira, Ana; Tkatchenko, Alexandre; Trstanova, Zofia; Wiewiora, Rafal; Lelievre, Tony
err分享
err收藏

研究方向

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合作学者
合作期刊
M
Michele Parrinello
H 指数: 155 · 论文数: 924
M
Michele Vendruscolo
H 指数: 118 · 论文数: 1.1K
G
Gregory A. Voth
H 指数: 114 · 论文数: 988
A
Adri C. T. van Duin
H 指数: 114 · 论文数: 821
F
Francesco Mauri
H 指数: 97 · 论文数: 596
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