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Chemistry

Working Paper

Robust ligand-protein docking using an advanced genetic algorithm

David Williams, David Kita, Eric Chang, Douglas Pahel, Qiang Wang

Version 1 posted 14 July 2021

310

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1

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Mathematics

Working Paper

Increasing the Creativity of ENGINO Toy Sets and Generating Automatic Building Instructions

A. Araújo, A. Gibali, A. Kyprianou, E. Antoniou, Miguel D. Bustamante, Y. Kaminski, W. Okrasinski

Version 1 posted 04 May 2021

226

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Chemistry

Working Paper

Accelerated Saddle Point Refinement Through Full Exploitation of Partial Hessian Diagonalization

Eric Hermes, Khachik Sargsyan, Habib Najm, Judit Zádor

Version 1 posted 30 August 2019

697

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Chemistry

Working Paper

Accelerating the Discovery of Multilayer Nanostructures with Analytic Differentiation of the Transfer Matrix Equations

James F. Varner, Dayanara Wert, Aya Matari, Raghad Nofal, Jonathan Foley

Version 2 posted 10 September 2019

582

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Mathematics

Working Paper

Foundry planning optimization: a decision support tool for a real-world case

Pedro Munari, Eduardo Beker, Guilherme Marinho Coelho, Kamyla Maria Ferreira, Socorro Rangel, Maristela Oliveira Santos, Ricardo S. Oliveira, Juan C. Cutipa-Luque, Jorge L. Huarca-Quispe, Eduardo S. Zanutti, José A. Cuminato, Francisco Louzada

Version 1 posted 31 July 2023

155

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Chemistry

Working Paper

Writing the Programs of Programmable Catalysis

Yorgos M. Psarellis, Mihalis Kavousanakis, Paul J. Dauenhauer, Ioannis G. Kevrekidis

Version 1 posted 16 February 2023

502

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Chemistry

Working Paper

DiSCoVeR: a Materials Discovery Screening Tool for High Performance, Unique Chemical Compositions

Sterling Baird, Tran Diep, Taylor Sparks

Version 3 posted 27 October 2021

778

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Mathematics

Working Paper

Locomotive maintenance scheduling: optimization approaches and a case study

Pedro Munari, Silvio A. de Araujo, Eduardo Beker, Victor C. B. Camargo, Rafael Campos, Diego Y. Hono, Pedro Pinelli, Socorro Rangel, Maria L. T. Santos, Maristela O. Santos, Fernando R. Senna, Eduardo S. Teixeira, Franklina M. B. Toledo, Caio P. Tomazella, Thiago Vieira, José A. Cuminato

Version 1 posted 05 October 2023

150

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Chemistry

Working Paper

Leveraging Neural Networks and Genetic Algorithms to Refine Electrode Properties in Redox Flow Batteries

Kevin Tenny, Richard Braatz, Yet- Ming Chiang, Fikile Brushett

Version 1 posted 25 January 2021

613

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Chemistry

Working Paper

Optimization of the Bulk Heterojunction of All-smallmolecule Organic Photovoltaics Using Design of Experiment and Machine Learning Approaches

Aaron Kirkey, Erik Luber, Bing Cao, Brian Olsen, Jillian Buriak

Version 1 posted 19 August 2020

790

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66 results in Optimization in Keywords: Optimization

Robust ligand-protein docking using an advanced genetic algorithm

Increasing the Creativity of ENGINO Toy Sets and Generating Automatic Building Instructions

Accelerated Saddle Point Refinement Through Full Exploitation of Partial Hessian Diagonalization

Accelerating the Discovery of Multilayer Nanostructures with Analytic Differentiation of the Transfer Matrix Equations

Foundry planning optimization: a decision support tool for a real-world case

Writing the Programs of Programmable Catalysis

DiSCoVeR: a Materials Discovery Screening Tool for High Performance, Unique Chemical Compositions

Locomotive maintenance scheduling: optimization approaches and a case study

Leveraging Neural Networks and Genetic Algorithms to Refine Electrode Properties in Redox Flow Batteries

Optimization of the Bulk Heterojunction of All-smallmolecule Organic Photovoltaics Using Design of Experiment and Machine Learning Approaches

66 results in Keywords: Optimization