Computational chemistry.

Nucleic Acid Structure and Interactions Revealed by Computer Simulations. by: (Language materials, manuscript)

Computational Studies of Biological Systems and Nanomaterials and Their Applications. by: (書目-語言資料,手稿)

Microwaves for Intensified Chemical Manufacturing : = Applications to Biomass Processing. by: (書目-語言資料,手稿)

Monte Carlo Tree Methods for Nonlinear Optimization. by: (書目-語言資料,手稿)

Developing Artificial Intelligence Tools for Biologists. by: (書目-語言資料,手稿)

Unraveling Foldamer Secondary Structure : = A Computational Investigation of New Folding Oligomers. by: (書目-語言資料,手稿)

Predictive Spectroscopic and Thermodynamic Properties of Complex Solutions and Interfaces. by: (書目-語言資料,手稿)

A Machine Learning-Driven Methodology for the Design of Exchange-Correlation Functionals. by: (書目-語言資料,手稿)

Investigations into Proton Transfer and Energy Conversion Using Machine Learning and Quantum Chemistry. by: (書目-語言資料,手稿)

Integrating Machine Learning and Protein Structural Features to Predict Drug Toxicity. by: (書目-語言資料,手稿)

Enantioselective Alkali Metal Catalysis. by: (書目-語言資料,手稿)

Quantitative Evaluation of Simultaneous Selective Ion Clustering and Hydrogen/Deuterium Exchange. by: (書目-語言資料,手稿)

Machine Learning Interatomic Potentials for First-Principles Electrochemistry. by: (書目-語言資料,手稿)

An Optimization Framework for Kinetic Model Building from Concentration and Spectroscopic Data. by: (書目-語言資料,手稿)

(Co-)Crystal Structure Prediction With Machine Learned Potentials. by: (書目-語言資料,手稿)

Expanding the Atomistic Study of the Optical and Electronic Properties of Nanomaterials. by: (書目-語言資料,手稿)

Investigations of Point Defect Properties and Dislocation Mechanisms in the Equiatomic Nb-Mo-Ta-W Refractory Alloy by Computational Modeling and Simulations. by: (書目-語言資料,手稿)

Grand Canonical Approach to Modeling Dynamic Catalysts : = From Thermal to Electro-Catalysis, From Clusters to Surfaces. by: (書目-語言資料,手稿)