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List of works by Michele Pavanello

<scp>DFTpy</scp>: An efficient and object‐oriented platform for orbital‐free <scp>DFT</scp> simulations

scientific article published in 2020

Ab Initio Structure and Dynamics of CO2 at Supercritical Conditions

scientific article published on 25 November 2019

Cooperation and Environment Characterize the Low-Lying Optical Spectrum of Liquid Water.

scientific article published on 2 October 2017

Erratum: "Low-lying excited states by constrained DFT" [J. Chem. Phys. 148, 144103 (2018)]

scientific article published on 01 March 2020

GGA-Level Subsystem DFT Achieves Sub-kcal/mol Accuracy Intermolecular Interactions by Mimicking Nonlocal Functionals

scientific article published on 13 May 2021

Low-lying excited states by constrained DFT.

scientific article published in April 2018

Nonadiabatic couplings from a variational excited state method based on constrained DFT

scientific article published on 01 January 2021

Nonlocal Subsystem Density Functional Theory

scientific article published on 19 December 2019

Nonlocal kinetic energy functionals by functional integration

scientific article published on 01 May 2018

Role of Dielectric Screening in Calculating Excited States of Solvated Azobenzene: A Benchmark Study Comparing Quantum Embedding and Polarizable Continuum Model for Representing the Solvent

scientific article published in 2022

Structural Transformation of Li-Excess Cathode Materials via Facile Preparation and Assembly of Sonication-Induced Colloidal Nanocrystals for Enhanced Lithium Storage Performance.

scientific article

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