N. Scott Bobbitt

Sandia National Laboratories

H指数:15

被引数:2,288

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The effects of K₂O cluster size and exposed facets on CO₂ binding energetics

K<sub>2</sub>O团簇尺寸和暴露晶面对CO<sub>2</sub>结合能的影响

Applied Surface Science

IF6.9

2026-09-030

PRE

Graph neural network-based multi-objective Bayesian optimization for enhanced screening of metal–organic frameworks with optimal separation performance

基于图神经网络的金属-有机框架多目标贝叶斯优化以提高最佳分离性能的筛选

j. mater. chem. a

IF0

2026-04-160

Structure and mechanical properties of grain boundaries in molybdenum disulfide (MoS2)

二硫化钼（MoS2）中晶界的结构与力学性能

Nanoscale

IF5.1

2025-12-090

OAAI

Adaptive Allocation of Monte Carlo Samples for Efficient, Multifidelity Computational Screening of Metal-Organic Frameworks

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2025-12-010

PRE

Mechanocatalytic formation of lubricious films on Pt–Au from ethanol and isopropanol vapor

通过乙醇和异丙醇蒸气对Pt–Au进行机械催化润滑膜的形成

Carbon

IF11.6

2025-10-260

PRE

Infection Diagnostics Enabled by Selective Adsorption of Breath-Based Biomarkers in Zr-Based Metal-Organic Frameworks

基于Zr基金属-有机框架选择性吸附呼气生物标志物的感染诊断

ACS SENSORS

IF9.1

2025-01-062

PRE

Ab Initio Molecular Dynamics Investigation of Water and Butanone Adsorption on UiO-66 with Defects

LANGMUIR

IF3.9

2024-10-310

PRE

Evidence of twinning-induced plasticity (TWIP) and ultrahigh hardness in additively-manufactured near-eutectic Ni-Nb

JOURNAL OF MATERIALS SCIENCE

IF3.9

2023-06-073

PRE

Machine learning predictions of diffusion in bulk and confined ionic liquids using simple descriptors

使用简单的描述符对散装和受限离子液体中的扩散进行机器学习预测

MOLECULAR SYSTEMS DESIGN & ENGINEERING

IF3.2

2023-01-015

PRE

Interactions of Water with Pristine and Defective MoS2

LANGMUIR

IF3.9

2022-08-188

Applying design principles to improve hydrogen storage capacity in nanoporous materials

BRAZILIAN JOURNAL OF CHEMICAL ENGINEERING

IF1.5

2021-11-103

PREAI

Compositionally graded joints between magnetically dissimilar alloys achieved through directed energy deposition

SCRIPTA MATERIALIA

IF5.6

2021-09-0112

OAAI

Inverse design of nanoporous crystalline reticular materials with deep generative models

具有深度生成模型的纳米多孔晶体网状材料的逆向设计

NATURE MACHINE INTELLIGENCE

IF23.9

2021-01-11236

OAAI

Structure and activity of mixed VOx-CeO2 domains supported on alumina in cyclohexane oxidative dehydrogenation

负载在氧化铝上的混合VOx-CeO2结构域在环己烷氧化脱氢中的结构和活性

JOURNAL OF CATALYSIS

IF6.5

2020-04-0120

OAAI

Molecular modelling and machine learning for high-throughput screening of metal-organic frameworks for hydrogen storage

用于高通量筛选储氢金属有机框架的分子建模和机器学习

MOLECULAR SIMULATION

IF2

2019-04-0485

PREAI

Energy-based descriptors to rapidly predict hydrogen storage in metal-organic frameworks

MOLECULAR SYSTEMS DESIGN & ENGINEERING

IF3.2

2019-01-01221

OAAI

Competitive Adsorption of Methyl Bromide and Water on Metal Catecholates: Insights from Density Functional Theory

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

IF3.9

2018-11-305

PREAI

Interactions of VOx Species with Amorphous TiO2 Domains on ALD-Derived Alumina-Supported Materials

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2018-09-2816

OAAI

Ab Initio Screening of Metal Catecholates for Adsorption of Toxic Pnictogen Hydride Gases

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

IF3.9

2017-11-219

High-Throughput Screening of Metal-Organic Frameworks for Hydrogen Storage at Cryogenic Temperature

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2016-11-23152

PREAI

N. Scott Bobbitt

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