Publications by authors named "Sheng D Chao"

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A Machine Learning Force Field for Bio-Macromolecular Modeling Based on Quantum Chemistry-Calculated Interaction Energy Datasets.
Zhen-Xuan Fan, Sheng D Chao

Bioengineering (Basel)· January 2024

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Intermolecular Non-Bonded Interactions from Machine Learning Datasets.
Jia-An Chen, Sheng D Chao

Molecules· December 2023

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A Minimum Quantum Chemistry CCSD(T)/CBS Data Set of Dimeric Interaction Energies for Small Organic Functional Groups: Heterodimers.
Hsing-Hsiang Huang, Yi-Siang Wang, Sheng D Chao

ACS Omega· June 2022

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A minimum quantum chemistry CCSD(T)/CBS dataset of dimeric interaction energies for small organic functional groups.
Yu-Ming Chang, Yi-Siang Wang, Sheng D Chao

J Chem Phys· October 2020

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Coarse-Grained Simulations Using a Multipolar Force Field Model.
Shuo-Feng Chiu, Sheng D Chao

Materials (Basel)· July 2018

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Molecular dynamics simulations of fluid cyclopropane with MP2/CBS-fitted intermolecular interaction potentials.
Yen-Ching Ho, Yi-Siang Wang, Sheng D Chao

J Chem Phys· August 2017

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Kinetic energy partition method applied to ground state helium-like atoms.
Yu-Hsin Chen, Sheng D Chao

J Chem Phys· March 2017

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Intermolecular interactions of trifluorohalomethanes with Lewis bases in the gas phase: an ab initio study.
Yi-Siang Wang, Chih-Chien Yin, Sheng D Chao

J Chem Phys· October 2014

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Improving the binding efficiency of quartz crystal microbalance biosensors by applying the electrothermal effect.
Yao-Hung Huang, Jeng-Shian Chang, Sheng D Chao, Kuang-Chong Wu, Long-Sun Huang

Biomicrofluidics· September 2014

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Liquid chloroform structure from computer simulation with a full ab initio intermolecular interaction potential.
Chih-Chien Yin, Arvin Huang-Te Li, Sheng D Chao

J Chem Phys· November 2013

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A combined experimental and theoretical study on the immunoassay of human immunoglobulin using a quartz crystal microbalance.
Po-Jen Liao, Jeng-Shian Chang, Sheng D Chao, Hung-Chi Chang, Kuan-Rong Huang

Sensors (Basel)· July 2012

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Liquid properties of dimethyl ether from molecular dynamics simulations using ab initio force fields.
Shi-Bao Wang, Arvin Huang-Te Li, Sheng D Chao

J Comput Chem· April 2012

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Computer simulation of trifluoromethane properties with ab initio force field.
Yi-Hsing Chung, Arvin Huang-Te Li, Sheng D Chao

J Comput Chem· August 2011

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Structures and energetics of neutral and ionic silicon-germanium clusters: density functional theory and coupled cluster studies.
Yi-Siang Wang, Sheng D Chao

J Phys Chem A· March 2011

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Molecular dynamics simulation of liquid carbon tetrachloride using ab initio force field.
Arvin Huang-Te Li, Shou-Cheng Huang, Sheng D Chao

J Chem Phys· January 2010

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Molecular dynamics simulations of fluid methane properties using ab initio intermolecular interaction potentials.
Shih-Wei Chao, Arvin Huang-Te Li, Sheng D Chao

J Comput Chem· September 2009

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Optimal higher-lying band gaps for photonic crystals with large dielectric contrast.
Ruey-Lin Chern, Sheng D Chao

Opt Express· October 2008

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Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
Ching-Cheng Pai, Arvin Huang-Te Li, Sheng D Chao

J Phys Chem A· November 2007

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Comparative performance of exchange and correlation density functionals in determining intermolecular interaction potentials of the methane dimer.
Sheng D Chao, Arvin Huang-Te Li

J Phys Chem A· September 2007

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Intermolecular potentials of the methane dimer calculated with Møller-Plesset perturbation theory and density functional theory.
Arvin Huang-Te Li, Sheng D Chao

J Chem Phys· September 2006

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Quantum state-to-state rate constants for the rotationally inelastic collision of CH(B2Sigma(-), nu=0, N-->N') with Ar.
Sheng Der Chao, Sheng Hsien Lin, Millard H Alexander

J Chem Phys· November 2005

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Coarse-grained rigid blob model for soft matter simulations.
Sheng D Chao, Joel D Kress, Antonio Redondo

J Chem Phys· June 2005

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An alternative multipolar expansion for intermolecular potential functions.
Sheng Der Chao, Joel D Kress, Antonio Redondo

J Chem Phys· March 2004

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Forward scattering due to slow-down of the intermediate in the H + HD --> D + H(2) reaction.
Steven A Harich, Dongxu Dai, Chia C Wang, Xueming Yang, Sheng Der Chao

Nature· September 2002

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