Shiang-Tai Lin

According to our database, Shiang-Tai Lin authored at least 7 papers between 2015 and 2025.

Collaborative distances:

• no known Dijkstra number.
• no known Erdős number.

2025

Physics-Embedded Machine Learning Model for Phase Equilibrium Prediction in Multicomponent Systems.

Yue Yang, Shiang-Tai Lin

J. Chem. Inf. Model., 2025

2023

MARS Plus: An Improved Molecular Design Tool for Complex Compounds Involving Ionic, Stereo, and Cis-Trans Isomeric Structures.

Chen-Hsuan Huang, Shiang-Tai Lin

J. Chem. Inf. Model., December, 2023

2019

New Data Structure for Computational Molecular Design with Atomic or Fragment Resolution.

Hsuan-Hao Hsu, Chen-Hsuan Huang, Shiang-Tai Lin

J. Chem. Inf. Model., 2019

Limitations of Global Hybrids in Predicting the Geometries and Torsional Energy Barriers of Dimeric Systems and the Role of Hartree Fock and DFT Exchange.

Talapunur Vikramaditya, Shiang-Tai Lin

J. Comput. Chem., 2019

2018

Impact of non-empirically tuning the range-separation parameter of long-range corrected hybrid functionals on ionization potentials, electron affinities, and fundamental gaps.

Talapunur Vikramaditya, Jeng-Da Chai, Shiang-Tai Lin

J. Comput. Chem., 2018

2017

Assessing the role of Hartree-Fock exchange, correlation energy and long range corrections in evaluating ionization potential, and electron affinity in density functional theory.

Talapunur Vikramaditya, Shiang-Tai Lin

J. Comput. Chem., 2017

2015

Internal coordinate density of state from molecular dynamics simulation.

Pin-Kuang Lai, Shiang-Tai Lin

J. Comput. Chem., 2015