Davide Mitoli - Publications, H-index & Citations

Davide Mitoli

università di torino

4H指数

11论文数

45被引数

收录论文 6

发表时间

Atomistic insights on the elasticity and Raman spectra of C-S-H from quantum-mechanical simulations 基于量子力学模拟的C-S-H弹性与拉曼光谱的原子尺度见解

Journal of the American Ceramic Society

IF3.8

2025-11-23

PREAI

Jefferson Maul; Davide Mitoli; Alessandro Erba; Ricardo P. S. Dutra

Anharmonic Vibrational States of Double-Well Potentials in the Solid State from DFT Calculations

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2025-03-01

OAAI

Mitoli, Davide; Petrov, Maria; Maul, Jefferson; Stoll, William B.; Ruggiero, Michael T.; Erba, Alessandro

Mechanical and dynamical stability of major oxide constituents of Portland cement clinker: a density functional theory study

JOURNAL OF THE AMERICAN CERAMIC SOCIETY

IF3.8

2024-02-28

PREAI

Maul, Jefferson; Mitoli, Davide; Erba, Alessandro; Dutra, Ricardo P. S.

CRYSTALpytools: A Python infrastructure for the CRYSTAL code CRYSTALpytools: CRYSTAL代码的Python基础设施

COMPUTER PHYSICS COMMUNICATIONS

IF3.4

2023-11-01

OAAI

Camino, Bruno; Zhou, Huanyu; Ascrizzi, Eleonora; Boccuni, Alberto; Bodo, Filippo; Cossard, Alessandro; Mitoli, Davide; Ferrari, Anna Maria; Erba, Alessandro; Harrison, Nicholas M.

Anharmonic Terms of the Potential Energy Surface: A Group Theoretical Approach

CRYSTAL GROWTH & DESIGN

IF3.4

2023-04-04

OAAI

Mitoli, Davide; Maul, Jefferson; Erba, Alessandro

Anharmonicity in Molecular Crystals: Generalized Perturbation Theory Meets Periodic Computations 分子晶体中的非谐性：广义微扰理论与周期性计算相结合

The Journal of Physical Chemistry Letters

IF0

OAAI

Davide Mitoli; Alessandro Erba; Vincenzo Barone; Marco Mendolicchio

研究方向