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ChemRN: Modelling Chemical Properties (Topic)

645 Total downloads

Viewing: 1 - 20 of 20 papers

1.

About the Triton Structure

American Journal of Engineering and Applied Sciences, 2018, 11 (4): 1293.1297
Number of pages: 5 Posted: 09 Jan 2019 Last Revised: 12 Jun 2019
Accepted Paper Series
Polytechnic University of Bucharest - ARoTMM-IFToMM
Downloads 286
2.

Machine Learning Based Prediction of Phases in High-Entropy Alloys

Number of pages: 15 Posted: 02 Mar 2020
Working Paper Series
Council for Scientific and Industrial Research
Downloads 143
3.

Machine Learned Feature Identification for Predicting Phase and Young's Modulus of Low-, Medium- and High-Entropy Alloys

Number of pages: 33 Posted: 05 Mar 2020
Working Paper Series
Lehigh University - Department of Mechanical Engineering and Mechanics, Lehigh University - Department of Mechanical Engineering and Mechanics, Lehigh University - Department of Mechanical Engineering and Mechanics and Lehigh University - Department of Mechanical Engineering and Mechanics
Downloads 33
4.

Computational Approach to Predict Phase Fraction in Dual-Phase High Entropy Alloys

Number of pages: 19 Posted: 20 Dec 2019
Working Paper Series
Defence Institute of Advanced Technology - Department of Metallurgical and Materials Engineering, Defence Institute of Advanced Technology - Department of Metallurgical and Materials Engineering and Defence Institute of Advanced Technology - Department of Metallurgical and Materials Engineering
Downloads 30
5.

Prediction of Liquid-Liquid Phase Separation Proteins Using Machine Learning

Number of pages: 32 Posted: 21 Jan 2020
Working Paper Series
Peking University - Center for Quantitative Biology, University of Chinese Academy of Sciences - College of Life Sciences, Peking University - Center for Quantitative Biology, University of Chinese Academy of Sciences - College of Life Sciences, Peking University - Center for Quantitative Biology and Peking University - Center for Quantitative Biology
Downloads 21
6.

Cold Creep of Titanium: Analysis of Stress Relaxation Using Synchrotron Diffraction and Crystal Plasticity Simulations

Number of pages: 85 Posted: 26 Mar 2020
Working Paper Series
University of Oxford - Department of Materials, University of Oxford - Department of Materials, Safran Tech - Department of Materials and Process, University of Oxford - Department of Materials, University of Oxford - Department of Materials and University of Oxford - Department of Materials
Downloads 17
7.

A Randomized Exhaustive Propositionalization Approach for Molecule Classification

INFORMS Journal on Computing, Volume 23, Issue 3, Summer 2011, pp. 331-345 , University of Alberta School of Business Research Paper No. 2013-1099
Number of pages: 27 Posted: 02 Jul 2013 Last Revised: 22 Jan 2014
Accepted Paper Series
Santa Clara University - Information Systems and Analytics, University of Colorado at Boulder - Leeds School of Business, Array BioPharma, Inc. and Independent
Downloads 16
8.

Accelerated Modeling of Interfacial Phases in the Ni-Bi System with Machine Learning Interatomic Potential

Number of pages: 24 Posted: 27 Jan 2020
Working Paper Series
Moscow State University - Department of Chemistry, Moscow State University - Department of Chemistry, Moscow State University - Department of Geology, Moscow State University - Department of Chemistry, Moscow State University - Department of Chemistry and Moscow State University - Department of Chemistry
Downloads 12
9.

Understanding Mechanical Behavior of Metallic Foam with Hollow Struts Using the Hollow Pentagonal Dodecahedron Model

Number of pages: 18 Posted: 26 Jan 2020
Working Paper Series
Arizona State University (ASU) - Department of Mechanical Engineering, Arizona State University (ASU) - Department of Chemical Engineering, Arizona State University (ASU) - Department of Materials Science and Engineering, Soochow University - School of Rail Transportation, Arizona State University (ASU) - Department of Chemical Engineering and Arizona State University (ASU) - Department of Mechanical Engineering
Downloads 12
10.

A Simple Mathematical Model for Establishing Isothermal Transformation Kinetics from Continuous Cooling Data

Number of pages: 21 Posted: 19 Feb 2020
Working Paper Series
Hanyang University - Division of Materials Science and Engineering, Hyundai Motor Group - Metallic Materials Research Lab, Hyundai Steel Company - R&D Center, Hyundai Motor Group - Metallic Materials Research Lab, Korea University of Science and Technology (UST) - High Temperature Energy Materials Research Center, Yonsei University - Department of Materials Science and Engineering and Hanyang University - Division of Materials Science and Engineering
Downloads 11
11.

Data Mining of Toxic Chemicals and Database-Based Toxicity Prediction

Science Direct Working Paper No S1574-0331(04)70492-0
Number of pages: 7 Posted: 25 May 2017 Last Revised: 23 Dec 2017
Working Paper Series
Peking University - Institute of Physical Chemistry & College of Chemistry and Molecular Engineering and Peking University - Center for Quantitative Biology
Downloads 11
12.

First-Principle Calculations of Electronic Structure of the (3,3), (4,4), (5,0) and (6,0) Single-Wall Carbon Nanotubes

Journal of Industrial Engineering Research, 1(4) July 2015, Pages: 28-32
Number of pages: 5 Posted: 10 Jul 2017
Accepted Paper Series
University of Babylon and University of Babylon
Downloads 11
13.

Additivity Rule (or Sum Rule) as a Prognostic Tool for Energy Value of Highest Occupied Molecular Orbital (or HOMO) of Organic Molecule

Number of pages: 6 Posted: 11 Jun 2019
Working Paper Series
Immanuel Kant Baltic Federal University and Immanuel Kant Baltic Federal University
Downloads 9
14.

Grain Growth Stagnation in Thin Films Due to Shear-Coupled Grain Boundary Migration

Number of pages: 16 Posted: 20 Dec 2019
Working Paper Series
Technion-Israel Institute of Technology - Department of Materials Science and Engineering and City University of Hong Kong (CityUHK) - Department of Materials Science and Engineering
Downloads 9
15.

3d and 4d Molecular Models Derived from the Ideal Symmetry Method. Prediction of Alkanes Normal Boiling Points

Science Direct Working Paper No S1574-0331(04)70075-2
Number of pages: 19 Posted: 24 May 2017 Last Revised: 02 Dec 2017
Working Paper Series
Universidad Nacional de La Plata - Departamento de Ingeniería de la Producción, Facultad de Ingeniería, Vostok Holding Innovation Company and Universidad Nacional de La Plata - Departamento de Quimica
Downloads 8
16.

First-Principle Calculation on Critical Velocity for Cu and Al Cold-Spray Bonding

Number of pages: 13 Posted: 05 Oct 2020
Working Paper Series
Osaka University - Joining and Welding Research Institute, Osaka University - Joining and Welding Research Institute, Xi'an Jiaotong University (XJTU) - State Key Laboratory for Mechanical Behavior of Materials and Osaka University - Joining and Welding Research Institute
Downloads 5
17.

Prediction of Elastic Stresses in Porous Materials Using Fully Convolutional Networks

SMM-20-2009
Number of pages: 13 Posted: 19 Oct 2020
Working Paper Series
San Jose State University, Electrical Engineering Department, San Jose State University and Electrical Engineering Department, San Jose State University
Downloads 4
18.

Mathematical Model to Predict the Characteristics of Polarization in Dielectric Materials: The Concept of Piezoelectrcity and Electrostriction

Chemistry International 5(3), 232-240, 2019
Number of pages: 9 Posted: 07 May 2020
Accepted Paper Series
Rivers State University of Science and Technology (RSUST)
Downloads 3
19.

Amelorate Qspr Study of Alkyl Hydroperoxides

Science Direct Working Paper No S1574-0331(04)70459-2
Number of pages: 8 Posted: 30 May 2017 Last Revised: 23 Dec 2017
Working Paper Series
Universidad Nacional de La Plata - Departamento de Quimica, Universidad Nacional de La Plata - Departamento de Quimica and Universidad Nacional de La Plata - Departamento de Quimica
Downloads 2
20.

Application of Quantitative Structure-Retention Relationships to Calculate Chromatographic Retention Times of O-Acetylphenyl Esters

Science Direct Working Paper No S1574-0331(04)70083-1
Number of pages: 24 Posted: 24 May 2017 Last Revised: 02 Dec 2017
Working Paper Series
affiliation not provided to SSRN, Universidad Nacional de La Plata - Departamento de Quimica, Universidad Nacional de La Plata - Departamento de Quimica, Universidad Nacional de La Plata - Departamento de Quimica, Universidad Nacional de La Plata - Departamento de Quimica and Universidad Nacional de La Plata - Departamento de Quimica
Downloads 2