未登录

J

Jolla Kullgren

Uppsala University

H指数:26

被引数:2,467

个人简介

暂无内容

教育背景

暂无内容

工作经历

暂无内容

荣誉奖项

暂无内容

Limitations of Cluster-Trained MLIPs for Liquid Density and Diffusivity

集群训练MLIPs在液体密度和扩散率方面的局限性

Journal of Chemical Theory and Computation

IF5.5

2026-03-310

OA

Machine-Learning Ice Spectra: From 1 to 256 Features

Journal of Chemical Theory and Computation

IF5.5

2026-02-040

OA

H2 over Nanoceria: Microkinetic Simulation of a TPR Experiment

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2025-11-010

PRE

Impact of temperature on short-range charge ordering in LiFePO 4 / FePO 4

PHYSICAL REVIEW B

IF3.7

2024-04-050

OA

Effects of partial isovalent substitution of V with (Ti,Fe) on redox reactivity in Li2VO2F battery cathodes

(Ti，Fe) 部分等价取代V对Li2VO2F电池阴极氧化还原反应性的影响

JOURNAL OF MATERIALS CHEMISTRY A

IF9.5

2024-01-010

OA

Modelling interfacial ionic transport in Li2VO2F cathodes during battery operation

ENERGY ADVANCES

IF4.3

2024-01-010

OA

H2O2(s) and H2O22H2O(s) crystals compared with ices: DFT functional assessment and D3 analysis

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-11-154

OA

Water on ceria{111}: Comparison between 23 experimental vibrational studies in the literature and new modeling

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-07-250

OA

Water in Crystals: A Database for ML and a Knowledge Base for Vibrational Prediction

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2023-07-050

OA

Low-Temperature Cation Ordering in High Voltage Spinel Cathode Material

高压尖晶石阴极材料中的低温阳离子有序化

ACS APPLIED ENERGY MATERIALS

IF5.5

2023-04-243

OA

Fortnet, a software package for training Behler-Parrinello neural networks

COMPUTER PHYSICS COMMUNICATIONS

IF3.4

2023-03-015

OAAI

Toward an efficient f-in-core/f-in-valence switchable description for DFTB calculations of Ce 4f states in ceria

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-02-071

PRE

Predicting Frequency from the External Chemical Environment: OH Vibrations on Hydrated and Hydroxylated Surfaces

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2022-12-026

OAAI

Adsorption and Oxidation of NO2 on Anatase TiO2: Concerted Nitrate Interaction and Photon-Stimulated Reaction

IF13.1

2022-08-0914

OA

Controlling the metal work function through atomic-scale surface engineering

通过原子尺度表面工程控制金属功函数

APPLIED SURFACE SCIENCE

IF6.9

2022-07-017

OAAI

Electrochemical Sodiation and Desodiation of Gallium

镓的电化学钠化和去改性

JOURNAL OF THE ELECTROCHEMICAL SOCIETY

IF3.3

2022-06-173

OA

Improving the transferability of density functional theory predictions through correlation analysis: Structural and energetic properties of NiX alloys (X = C, Si, Ge, and Sn)

PHYSICAL REVIEW B

IF3.7

2022-02-165

OA

A Halogen-Free and Flame-Retardant Sodium Electrolyte Compatible with Hard Carbon Anodes

与硬碳阳极兼容的无卤阻燃钠电解质

ADVANCED MATERIALS INTERFACES

IF4.4

2021-10-2219

OAAI

Using DFTB to Model Photocatalytic Anatase-Rutile TiO2 Nanocrystalline Interfaces and Their Band Alignment

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2021-07-074

OAAI

Revealing capacity fading in Sb-based anodes using symmetric sodium-ion cells

使用对称钠离子电池揭示Sb基阳极的容量衰减

JOURNAL OF PHYSICS-MATERIALS

IF4.3

2021-03-256

OA