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Publications in Computer Science Applications

Combining Evolutionary Algorithms With Clustering Toward Rational Global Structure Optimization at the Atomic Scale

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2017English

An Ensemble Approach to Link Prediction

IEEE Transactions on Knowledge and Data Engineering
Computational TheoryComputer Science ApplicationsInformation SystemsMathematics
2017English

The Impact of Topological and Graphical Choices on the Perception of Euler Diagrams

Information Sciences
ControlSystems EngineeringManagementTheoretical Computer ScienceComputer Science ApplicationsInformation SystemsArtificial IntelligenceSoftware
2016English

Correction to Calculation of Ligand Dissociation Energies in Large Transition-Metal Complexes

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

WESTPA: An Interoperable, Highly Scalable Software Package for Weighted Ensemble Simulation and Analysis

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2015English

Decomposition of Proteins Into Dynamic Units From Atomic Cross-Correlation Functions

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

Modeling Molecular Kinetics With tICA and the Kernel Trick

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2015English

Correction to Spin-Free CC2 Implementation of Induced Transitions Between Singlet Ground and Triplet Excited States

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2017English

Comparison of Design Concepts in Multi-Criteria Decision-Making Using Level Diagrams

Information Sciences
ControlSystems EngineeringManagementTheoretical Computer ScienceComputer Science ApplicationsInformation SystemsArtificial IntelligenceSoftware
2013English

Issue Editorial Masthead

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

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