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G

Giacomo Prampolini

consiglio nazionale delle ricerche (cnr)

34H指数
152论文数
3.3K被引数
收录论文 63
发表时间
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From Quantum Mechanics to Coarse-Grained Models: Bridging the Gap toward Polymer Rational Design从量子力学到粗粒化模型：弥合差距以实现聚合物理性设计
errJournal of Chemical Theory and Computation
IF5.5
err2026-04-01
err0
errOAAI
errAbderrahmane Semmeq; Andoni Ugartemendia; Alessandro Mossa; Serena Coiai; Giorgia Brancolini; Giacomo Prampolini
err分享
err收藏
Delocalization versus Coherence under Vibrational and Environmental Disorder in Photoexcited Supramolecular Aggregates振动和环境无序下光激发超分子聚集体的离域化与相干性
errJournal of the American Chemical Society
IF15.6
err2026-01-01
err1
errOAAI
errGiannini, Samuele; Segalina, Alekos; Padula, Daniele; Cantina, Marta; Pastore, Mariachiara; Prampolini, Giacomo; Santoro, Fabrizio
err分享
err收藏
Effect of Thermal Disorder on the Electronic Structure and the Charge Mobility of Acenes热无序对聚苯并噻吩电子结构和电荷迁移率的影响
errJ. Mater. Chem. C
IF0
err2025-10-31
err0
errOAAI
errAlessandro Landi; Francesco Ambrosio; Anna Leo; Daniele Padula; Giacomo Prampolini; Andrea Peluso
err分享
err收藏
NORA: Non-adiabatic dynamics with force-field based Representation. Application to photoisomerization in biomimetic photoswitches. †NORA：基于力场表示的非绝热动力学。在生物模拟光开关的光异构化中的应用。†
errChem. Commun.
IF4.2
err2025-10-29
err0
errOAAI
errRaúl Losantos; Giacomo Prampolini; Antonio Monari
err分享
err收藏
Anticooperative Self-Assembly of Perylene Diimide Dyes in Water Unveiled by Advanced Molecular Dynamics Simulations水环境中perylenediimide染料的反协同自组装被先进分子动力学模拟揭示
errNanoscale
IF5.1
err2025-09-20
err0
errOAAI
errMarta Cantina; Daniele Padula; Alekos Segalina; Samuele Giannini; Fabrizio Santoro; Giacomo Prampolini; Mariachiara Pastore
err分享
err收藏
Modelling the role of internal flexibility and inter-state couplings modulated by an explicit environment in the absorption spectrum of coelenteramide通过显式环境调控的内部柔性和态间耦合对coelenteramide吸收光谱的作用建模
errPhys. Chem. Chem. Phys.
IF2.9
err2025-08-10
err0
errOAAI
errMohammad Aarabi ‡; Samira Gholami ‡ §; Samuele Giannini ¶; Marco Garavelli; Giacomo Prampolini; Fabrizio Santoro
err分享
err收藏
On-Surface Synthesis and Cryogenic Exfoliation of Sterically Frustrated Atropisomers表面合成与低温剥离空间受阻的阿托匹索mers
errACS NANO
IF16
err2025-04-01
err0
errOAAI
errD'Astolfo, P; Vilhena, JG; Rothenbühler, S; Drechsel, C; Gutiérrez-Varela, O; Häner, R; Decurtins, S; Liu, SX; Prampolini, G; Pawlak, R; Meyer, E
err分享
err收藏
JOYCE3.0: A General Protocol for the Specific Parametrization of Accurate Intramolecular Quantum Mechanically Derived Force Fields
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-03-01
err0
PREAI
errGiannini, Samuele; Martinez, P. M.; Semmeq, Abderrahmane; Galvez, J. Pablo; Piras, Anna; Landi, Alessandro; Padula, Daniele; Vilhena, J. G.; Cerezo, Javier; Prampolini, Giacomo
err分享
err收藏
Non-adiabatic direct quantum dynamics using force fields: Toward solvation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-05-07
err6
errOAAI
errCigrang, L. L. E.; Green, J. A.; Gomez, S.; Cerezo, J.; Improta, R.; Prampolini, G.; Santoro, F.; Worth, G. A.
err分享
err收藏
A Portrait of the Chromophore as a Young System-Quantum-Derived Force Field Unraveling Solvent Reorganization upon Optical Excitation of Cyclocurcumin Derivatives
errMOLECULES
IF4.6
err2024-04-12
err2
errOAAI
errLosantos, Raul; Prampolini, Giacomo; Monari, Antonio
err分享
err收藏
Tautomeric contributions to the absorption spectrum of [2,2′-bipyridyl]-3,3′-diol in water unveiled by molecular dynamics with accurate quantum mechanically derived force-fields互变异构对 [2,2 ′-联吡啶]-3,3 ′-二醇在水中的吸收光谱的贡献通过分子动力学和精确的量子力学推导的力场揭示
errJOURNAL OF MOLECULAR LIQUIDS
IF5.2
err2024-02-01
err2
errOAAI
errPrampolini, Giacomo; Porwal, Vishal K.; Carof, Antoine; Ingrosso, Francesca
err分享
err收藏
Dissecting the nature and dynamics of electronic excitations in a solid-state aggregate of a representative non-fullerene acceptor
errJOURNAL OF MATERIALS CHEMISTRY C
IF5.1
err2024-01-01
err4
errOAAI
errGiannini, Samuele; Cerda, Jesus; Prampolini, Giacomo; Santoro, Fabrizio; Beljonne, David
err分享
err收藏
Integrated Quantum-Classical Protocol for the Realistic Description of Solvated Multinuclear Mixed-Valence Transition-Metal Complexes and Their Solvatochromic Properties
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-12-12
err6
errOAAI
errPrampolini, Giacomo; Andersen, Amity; Poulter, Benjamin I.; Khalil, Munira; Govind, Niranjan; Biasin, Elisa; Pastore, Mariachiara
err分享
err收藏
Non-Phenomenological Description of the Time-Resolved Emission in Solution with Quantum-Classical Vibronic Approaches-Application to Coumarin C153 in Methanol
errMOLECULES
IF4.6
err2023-05-05
err8
errOAAI
errCerezo, Javier; Gao, Sheng; Armaroli, Nicola; Ingrosso, Francesca; Prampolini, Giacomo; Santoro, Fabrizio; Ventura, Barbara; Pastore, Mariachiara
err分享
err收藏
Assessing alkyl side chain effects on electron transport properties of Y6-derived non-fullerene acceptors
errENERGY ADVANCES
IF4.3
err2023-01-01
err10
errOAAI
errPadula, Daniele; Landi, Alessandro; Prampolini, Giacomo
err分享
err收藏
Accurate Quantum-Mechanically Derived Force-Fields through a Fragment-Based Approach: Balancing Specificity and Transferability in the Prediction of Self-Assembly in Soft Matter
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-10-19
err8
PREAI
errda Silveira, Leandro Greif; Livotto, Paolo Roberto; Padula, Daniele; Vilhena, J. G.; Prampolini, Giacomo
err分享
err收藏
How the Interplay among Conformational Disorder, Solvation, Local, and Charge-Transfer Excitations Affects the Absorption Spectrum and Photoinduced Dynamics of Perylene Diimide Dimers: A Molecular Dynamics/Quantum Vibronic Approach
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-04-04
err29
errOAAI
errSegalina, Alekos; Aranda, Daniel; Green, James A.; Cristino, Vito; Caramori, Stefano; Prampolini, Giacomo; Pastore, Mariachiara; Santoro, Fabrizio
err分享
err收藏
Automated Parameterization of Quantum Mechanically Derived Force Fields for Soft Materials and Complex Fluids: Development and Validation
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-06-29
err17
errOAAI
errVilhena, J. G.; da Silveira, Leandro Greff; Livotto, Paolo Roberto; Cacelli, Ivo; Prampolini, Giacomo
err分享
err收藏
The Role of Non-Covalent Interactions on Cluster Formation: Pentamer, Hexamers and Heptamer of Difluoromethane
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2021-06-24
err11
errOAAI
errCalabrese, Camilla; Temelso, Berhane; Usabiaga, Imanol; Seifert, Nathan A.; Basterretxea, Francisco J.; Prampolini, Giacomo; Shields, George C.; Pate, Brooks H.; Evangelisti, Luca; Cocinero, Emilio J.
err分享
err收藏
Accounting for Vibronic Features through a Mixed Quantum-Classical Scheme: Structure, Dynamics, and Absorption Spectra of a Perylene Diimide Dye in Solution
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-10-30
err26
errOAAI
errSegalina, Alekos; Cerezo, Javier; Prampolini, Giacomo; Santoro, Fabrizio; Pastore, Mariachiara
err分享
err收藏

研究方向

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合作学者
合作期刊
D
David Beljonne
H 指数: 109 · 论文数: 837
V
Vincenzo Barone
H 指数: 106 · 论文数: 1.2K
B
Benedetta Mennucci
H 指数: 84 · 论文数: 566
E
Ernst Meyer
H 指数: 80 · 论文数: 705
G
Gianaurelio Cuniberti
H 指数: 79 · 论文数: 1.3K
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