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M

Michele Nottoli

University of Pisa

13H指数
35论文数
668被引数
收录论文 16
发表时间
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A symmetry-preserving and transferable representation for learning the Kohn–Sham density matrix一种保持对称性且可转移的表示方法，用于学习Kohn–Sham密度矩阵
errDigital Discovery
IF5.6
err2026-04-07
err0
errOAAI
errLiwei Zhang; Patrizia Mazzeo; Michele Nottoli; Edoardo Cignoni; Lorenzo Cupellini; Benjamin Stamm
err分享
err收藏
Grassmann Extrapolation for Accelerating Geometry Optimization
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-02-07
err0
PREAI
errAskarpour, Zahra; Nottoli, Michele; Stamm, Benjamin
err分享
err收藏
ddX: Polarizable continuum solvation from small molecules to proteins
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2024-07-31
err0
errOAAI
errNottoli, Michele; Herbst, Michael F.; Mikhalev, Aleksandr; Jha, Abhinav; Lipparini, Filippo; Stamm, Benjamin
err分享
err收藏
The OpenMMPol library for polarizable QM/MM calculations of properties and dynamicsOpenMMPol库，用于可极化QM/MM的性质和动力学计算
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-04-01
err2
errOAAI
errBondanza, Mattia; Nottoli, Tommaso; Nottoli, Michele; Cupellini, Lorenzo; Lipparini, Filippo; Mennucci, Benedetta
err分享
err收藏
QM/AMOEBA description of properties and dynamics of embedded molecules嵌入分子的性质和动力学的QM/阿米巴描述
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2023-06-08
err14
errOAAI
errNottoli, Michele; Bondanza, Mattia; Mazzeo, Patrizia; Cupellini, Lorenzo; Curutchet, Carles; Loco, Daniele; Lagardere, Louis; Piquemal, Jean-Philip; Mennucci, Benedetta; Lipparini, Filippo
err分享
err收藏
Linear scaling computation of forces for the domain-decomposition linear Poisson-Boltzmann method
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-03-08
err5
errOAAI
errJha, Abhinav; Nottoli, Michele; Mikhalev, Aleksandr; Quan, Chaoyu; Stamm, Benjamin
err分享
err收藏
Linearly scaling computation of ddPCM solvation energy and forces using the fast multipole method
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-09-16
err4
PREAI
errMikhalev, A.; Nottoli, M.; Stamm, B.
err分享
err收藏
Molecular Dynamics Simulations Enforcing Nonperiodic Boundary Conditions: New Developments and Application to the Solvent Shifts of Nitroxide Magnetic Parameters
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-03-08
err7
errOAAI
errMancini, Giordano; Fuse, Marco; Lipparini, Filippo; Nottoli, Michele; Scalmani, Giovanni; Barone, Vincenzo
err分享
err收藏
Energy, Structures, and Response Properties with a Fully Coupled QM/AMOEBA/ddCOSMO Implementation
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-09-03
err11
errOAAI
errNottoli, Michele; Nifosi, Riccardo; Mennucci, Benedetta; Lipparini, Filippo
err分享
err收藏
An enhanced sampling QM/AMOEBA approach: The case of the excited state intramolecular proton transfer in solvated 3-hydroxyflavone
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-05-12
err14
errOAAI
errNottoli, Michele; Bondanza, Mattia; Lipparini, Filippo; Mennucci, Benedetta
err分享
err收藏
Multiscale Models for Light-Driven Processes
errANNUAL REVIEW OF PHYSICAL CHEMISTRY
IF0
err2021-04-20
err31
errOAAI
errNottoli, Michele; Cupellini, Lorenzo; Lipparini, Filippo; Granucci, Giovanni; Mennucci, Benedetta
err分享
err收藏
From crystallographic data to the solution structure of photoreceptors: the case of the AppA BLUF domain
errCHEMICAL SCIENCE
IF7.4
err2021-01-01
err12
errOAAI
errHashem, Shaima; Macaluso, Veronica; Nottoli, Michele; Lipparini, Filippo; Cupellini, Lorenzo; Mennucci, Benedetta
err分享
err收藏
General formulation of polarizable embedding models and of their coupling
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-12-09
err22
errOAAI
errNottoli, Michele; Lipparini, Filippo
err分享
err收藏
Successes & challenges in the atomistic modeling of light-harvesting and its photoregulation
errBIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS
IF2.7
err2020-04-01
err34
errOAAI
errCupellini, Lorenzo; Bondanza, Mattia; Nottoli, Michele; Mennucci, Benedetta
err分享
err收藏
Quantum Calculations in Solution of Energies, Structures, and Properties with a Domain Decomposition Polarizable Continuum Model
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-09-11
err12
PREAI
errNottoli, Michele; Stamm, Benjamin; Scalmani, Giovanni; Lipparini, Filippo
err分享
err收藏
The molecular mechanisms of light adaption in light-harvesting complexes of purple bacteria revealed by a multiscale modeling
errCHEMICAL SCIENCE
IF7.4
err2019-01-01
err34
errOAAI
errRamos, Felipe Cardoso; Nottoli, Michele; Cupellini, Lorenzo; Mennucci, Benedetta
err分享
err收藏

研究方向

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合作学者
合作期刊
V
Vincenzo Barone
H 指数: 106 · 论文数: 1.2K
B
Benedetta Mennucci
H 指数: 84 · 论文数: 566
J
Jean‐Philip Piquemal
H 指数: 59 · 论文数: 346
G
Giovanni Scalmani
H 指数: 49 · 论文数: 112
C
Carles Curutchet
H 指数: 39 · 论文数: 113
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