34 citations · 38 across the 9 of their papers we have counts for
10 papers
Variational Quantum Circuit Parameterization of SchNet: A Simulator-Based Feasibility Study for Conservative Molecular Force Fields
Hoang - Anh Nguyen, Nhu - Duc Dinh, Viet - Hung Tran +3
Machine-learning force fields provide a promising route for accelerating molecular simulation by replacing expensive quantum-chemical calculations with differentiable models of mol…
Pairwise interactions for Potential energy surfaces and Atomic forces with Deep Neural network
Van-Quyen Nguyen, Viet-Cuong Nguyen, Tien-Cuong Nguyen +1
Molecular dynamics (MD) simulation, which is considered an important tool for studying physical and chemical processes at the atomic scale, requires accurate calculations of energi…
Learning Hidden Chemistry with Deep Neural Networks
Tien-Cuong Nguyen, Van-Quyen Nguyen, Van-Linh Ngo +2
We demonstrate a machine learning approach designed to extract hidden chemistry/physics to facilitate new materials discovery. In particular, we propose a novel method for learning…
Ensemble learning reveals dissimilarity between rare-earth transition metal binary alloys with respect to the Curie temperature
Duong-Nguyen Nguyen, Tien-Lam Pham, Viet-Cuong Nguyen +3
We propose a data-driven method to extract dissimilarity between materials, with respect to a given target physical property. The technique is based on an ensemble method with Kern…
Explainable Machine Learning for Materials Discovery: Predicting the Potentially Formable Nd-Fe-B Crystal Structures and Extracting Structure-Stability Relationship
Tien-Lam Pham, Duong-Nguyen Nguyen, Minh-Quyet Ha +3
New Nd-Fe-B crystal structures can be formed via the elemental substitution of LATX host structures, including lanthanides LA, transition metals T, and light elements X as B, C, N,…
Measuring the Similarity between Materials with an Emphasis on the Materials Distinctiveness
Tran-Thai Dang, Tien-Lam Pham, Hiori Kino +2
In this study, we establish a basis for selecting similarity measures when applying machine learning techniques to solve materials science problems. This selection is considered wi…