Alain Tchagang - Publications, H-index & Citations

Alain Tchagang

National Research Council Canada

16H指数

106论文数

720被引数

收录论文 16

发表时间

OBELiX: A Curated Dataset of Crystal Structures and Experimentally Measured Ionic Conductivities for Lithium Solid-State Electrolytes OBELiX：一个锂固态电解质晶体结构和实验测量的离子电导率的精选数据集

Digital Discovery

IF5.6

2026-01-17

OAAI

Felix Therrien; Jamal Abou Haibeh; Divya Sharma; Rhiannon Hendley; Leah Wairimu Mungai; Sun Sun; Alain Tchagang; Jiang Su; Samuel Huberman; Yoshua Bengio; Hongyu Guo; Alex Hernandez-Garcia; Homin Shin

Several birds with one stone: exploring the potential of AI methods for multi-target drug design

MOLECULAR DIVERSITY

IF3.8

2024-11-24

PREAI

Mukaidaisi, Muhetaer; Ahmed, Madiha; Grantham, Karl; Al-Jumaily, Aws; Dedhar, Shoukat; Organ, Michael; Tchagang, Alain; Hou, Jinqiang; Ahmed, Syed Ejaz; Dividino, Renata; Li, Yifeng

A deep generative modeling architecture for designing lattice-constrained perovskite materials 用于设计晶格约束的钙钛矿材料的深度生成建模架构

NPJ COMPUTATIONAL MATERIALS

IF11.9

2024-08-30

OAAI

Chenebuah, Ericsson Tetteh; Nganbe, Michel; Tchagang, Alain Beaudelaire

Active-learning for global optimization of Ni-Ceria nanoparticles: The case of Ce4-xNixO8-x (x=1, 2, 3)

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2024-03-29

OAAI

Herrera, Lizandra Barrios; Lourenco, Maicon Pierre; Hostas, Jiri; Calaminici, Patrizia; Koester, Andreas M.; Tchagang, Alain; Salahub, Dennis R.

Adsorbate-Dependent Electronic Structure Descriptors for Machine Learning-Driven Binding Energy Predictions in Diverse Single Atom Alloys: A Reductionist Approach

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2024-03-08

PREAI

Shirani, Javad; Valdes, Julio J.; Tchagang, Alain B.; Bevan, Kirk H.

Reinforcement learning for in silico determination of adsorbate-substrate structures

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2024-02-15

PREAI

Lourenco, Maicon Pierre; Hostas, Jiri; Bellinger, Colin; Tchagang, Alain; Salahub, Dennis R.

Novel machine learning insights into the QM7b and QM9 quantum mechanics datasets

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2024-02-08

OAAI

Valdes, Julio J.; Tchagang, Alain B.

How important is the amount of exact exchange for spin-state energy ordering in DFT? Case study of molybdenum carbide cluster, Mo4C2

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-11-10

PREAI

Hostas, Jiri; Perez-Becerra, Kevin O.; Calaminici, Patrizia; Barrios-Herrera, Lizandra; Lourenco, Maicon Pierre; Tchagang, Alain; Salahub, Dennis R.; Koster, Andreas M.

QMLMaterialA Quantum Machine Learning Software for Material Design and Discovery

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-08-15

PREAI

Lourenco, Maicon Pierre; Herrera, Lizandra Barrios; Hostas, Jiri; Calaminici, Patrizia; Koester, Andreas M.; Tchagang, Alain; Salahub, Dennis R.

Machine Learning Based Electronic Structure Predictors in Single-Atom Alloys: A Model Study of CO Kink-Site Adsorption across Transition Metal Substrates 单原子合金中基于机器学习的电子结构预测因子: 跨过渡金属衬底的CO扭结位吸附的模型研究

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2023-06-20

PREAI

Shirani, Javad; Pham, Hanh D. M.; Yuan, Shuaishuai; Tchagang, Alain B.; Valdes, Julio J.; Bevan, Kirk H.