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Publications in Computer Science Applications

Modification of Lipid Bilayer Structure by Diacylglycerol: A Comparative Study of Diacylglycerol and Cholesterol

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2012English

Guest Editorial: Special Section on the International Conference on Data Engineering

IEEE Transactions on Knowledge and Data Engineering
Computational TheoryComputer Science ApplicationsInformation SystemsMathematics
2014English

Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2020English

Large-Scale Cubic-Scaling Random Phase Approximation Correlation Energy Calculations Using a Gaussian Basis

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2016English

On the Estimation of Pareto Fronts From the Point of View of Copula Theory

Information Sciences
ControlSystems EngineeringManagementTheoretical Computer ScienceComputer Science ApplicationsInformation SystemsArtificial IntelligenceSoftware
2015English

SESCA: Predicting Circular Dichroism Spectra From Protein Molecular Structures

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2019English

A Pareto-Based Many-Objective Evolutionary Algorithm Using Space Partitioning Selection and Angle-Based Truncation

Information Sciences
ControlSystems EngineeringManagementTheoretical Computer ScienceComputer Science ApplicationsInformation SystemsArtificial IntelligenceSoftware
2019English

Dynamic Heterogeneous Dielectric Generalized Born (DHDGB): An Implicit Membrane Model With a Dynamically Varying Bilayer Thickness

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2013English

Performance and Scope of Perturbative Corrections to Random-Phase Approximation Energies

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2018English

Convergence of the Many-Body Expansion for Energy and Forces for Classical Polarizable Models in the Condensed Phase

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2016English

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