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ChemRN: Other Computational & Theoretical Chemistry (Topic)

2,235 Total downloads

Viewing: 1 - 50 of 194 papers

1.

Elementary Structure of Matter Can Be Studied with New Quantum Computers

American Journal of Engineering and Applied Sciences, Volume 11, Issue 2, Pages 1062-1075
Number of pages: 14 Posted: 27 Jul 2018
Accepted Paper Series
Bucharest University, Facutly of Law, Students and Polytechnic University of Bucharest - ARoTMM-IFToMM
Downloads 110
2.

Monitoring Dermal Penetration and Permeation Kinetics of Topical Products; the Role of Raman Microspectroscopy

Number of pages: 21 Posted: 16 Feb 2022
Working Paper Series
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, University College London, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 108
3.

An Improved Machine Learning Approach for Predicting Granular Flows

Number of pages: 45 Posted: 16 Feb 2022
Working Paper Series
affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 63
4.

Lithium Difluoro(Bisoxalato) Phosphate-Based Multi-Salt Low Concentration Electrolytes for Wide-Temperature Lithium Metal Batteries: Experiments and Theoretical Calculations

Number of pages: 40 Posted: 18 Feb 2022
Working Paper Series
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Hefei University of Technology and Hefei University of Technology
Downloads 62
5.

Mathematical Modelling for Evaluation of Multi-Stage Flash Evaporator for Concentrating Na 2SO 4, H 2SO 4, ZnSO 4 and H 2O Mixture

Proceedings of the International Conference on Advances in Chemical Engineering (AdChE) 2020
Number of pages: 13 Posted: 12 Oct 2020
Working Paper Series
University of Petroleum and Energy Studies (UPES) and GRASIM Industries (Aditya Birla Group)
Downloads 57
6.

Does Using Multi-Dimensional Energy-Momentum Equation Change the Kinetic Energy Formula?

Number of pages: 8 Posted: 21 Jul 2020 Last Revised: 11 Aug 2020
Working Paper Series
Islamic Azad University (IAU) - Karaj Branch, Islamic Azad University (IAU) - Karaj Branch and affiliation not provided to SSRN
Downloads 45
7.

Application of Integral Transform (Laplace and Shehu) in Chemical Sciences

D. P. Patil, Application Of Integral Transform (Laplace And Shehu) In Chemical Sciences, Aayushi International Interdisciplinary Research Journal , Special issue 88
Number of pages: 5 Posted: 16 Feb 2022
Working Paper Series
KRT Arts, BH Commerce and AM Science College Nashik - Department of Mathematics
Downloads 39
8.

The Speed of Light and the Number of Chemical Elements.

Number of pages: 8 Posted: 04 Dec 2020
Working Paper Series
Independent and Independent
Downloads 39
9.

Machine Learning Predictions of Lithium-Ion Battery State-of-Health for Evtol Applications

Number of pages: 20 Posted: 07 May 2022
Working Paper Series
Capgemini Engineering, Capgemini Engineering, Capgemini Engineering, Capgemini Engineering and Capgemini Engineering
Downloads 38
10.

Metamorphosis-Like Growth of Fexmn1-Xpx3 (X=S, Se) Hexagonal Sheets on Carbon Nanotubes Network for High-Performance Potassium Ion Batteries

Number of pages: 29 Posted: 25 Apr 2022
Working Paper Series
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 38
11.

Information-Driven Modelling of Antibody-Antigen Complexes

Number of pages: 39 Posted: 01 Apr 2019
Working Paper Series
University of Rome I - Department of Physics, Utrecht University - Computational Structural Biology Group, Utrecht University - Computational Structural Biology Group and Utrecht University - Computational Structural Biology Group
Downloads 36
12.

Machine Learning-Based Prediction Models for Formation Energies of Interstitial Atoms in HCP Crystals

Number of pages: 21 Posted: 22 Nov 2019
Working Paper Series
Sungkyunkwan University - School of Mechanical Engineering, Sungkyunkwan University - School of Mechanical Engineering, Kyungpook National University - Department of Physics Education, Yonsei University - Department of Mechanical Engineering, Yonsei University - Department of Computational Science and Engineering and Sungkyunkwan University - School of Mechanical Engineering
Downloads 35
13.

Exact Master Equation for an Open Jaynes-Cummings System

Number of pages: 15 Posted: 22 Mar 2022
Working Paper Series
affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 34
14.

Predicting Compressive Strength of Alkali-Activated Systems Based on the Network Topology and Phase Assemblages Using Tree-Structure Computing Algorithms

Number of pages: 27 Posted: 04 Mar 2022
Working Paper Series
Missouri University of Science and Technology, Missouri University of Science and Technology, Missouri University of Science and Technology, Missouri University of Science and Technology, Missouri University of Science and Technology, affiliation not provided to SSRN and Missouri University of Science and Technology
Downloads 33
15.

A Deep Learning Approach to Concrete Water-Cement Ratio Prediction

Number of pages: 33 Posted: 15 Apr 2022
Working Paper Series
affiliation not provided to SSRN, affiliation not provided to SSRN, Obafemi Awolowo University, University of Lagos, Obafemi Awolowo University, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Obafemi Awolowo University and affiliation not provided to SSRN
Downloads 32
16.

Control of an Ultrasonic Haptic Interface for Button Simulation

Number of pages: 13 Posted: 22 Mar 2022
Working Paper Series
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 32
17.

A Meta-Analysis of Relevant Thermal and Chemical Phenomena Descriptions Applied in Cfd Modelling of Pyrolysis of a Single, Thermally-Thick Wood Particle

Number of pages: 62 Posted: 16 Feb 2022
Working Paper Series
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 30
18.

Application of Taguchi method and response surface methodology into the removal of malachite green and auramine-O by NaX nanozeolites

Number of pages: 25 Posted: 22 Mar 2021
Working Paper Series
University of Sistan & Baluchestan, Yazd University and National Yunlin University of Science and Technology
Downloads 28
19.

Cfd Modelling and Optimisation of Electrolyser Flow Channel Designs for Highly Efficient Hydrogen Production

Number of pages: 50 Posted: 22 Mar 2022
Working Paper Series
affiliation not provided to SSRN, affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 27
20.

An Ensemble Machine Learning Method for Microplastics Identification with Ftir Spectrum

Number of pages: 22 Posted: 17 Mar 2022
Working Paper Series
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 25
21.

Application of Molecular Modeling Study in Discovery of Various Types of Novel Lead Compounds

Number of pages: 6 Posted: 09 May 2020
Working Paper Series
Swami Vivekanand Subharti University, Meerut, India and Swami Vivekanand Subharti University, Meerut, India
Downloads 25
22.

Semi-Supervised Learning Approaches to Class Assignment in Ambiguous Microstructures

Number of pages: 26 Posted: 10 Dec 2019
Working Paper Series
Texas A&M University - Department of Materials Science and Engineering, Texas A&M University - Department of Materials Science and Engineering, Texas A&M University - Department of Electrical Engineering, Texas A&M University - Department of Electrical Engineering and Texas A&M University - Department of Materials Science and Engineering
Downloads 25
23.

Analysis and Modeling of Path Loss for Terrestrial Television in Nigeria

Number of pages: 15 Posted: 26 Feb 2022
Working Paper Series
University of Calabar, University of Calabar, University of Calabar, University of Calabar, University of Calabar and University of Calabar
Downloads 22
24.

Developing a User-Friendly and Fully Automated Deep-Learning-Based Application for Lung Cancer Diagnosis

Number of pages: 18 Posted: 05 Apr 2022
Working Paper Series
affiliation not provided to SSRN, Prince Sattam bin Abdulaziz University, Imam Abdulrahman Bin Faisal University, Imam Abdulrahman Bin Faisal University, Imam Abdulrahman Bin Faisal University, Bach Mai Hospital, Tehran University of Medical Sciences and Bushehr University of Medical Sciences
Downloads 22
25.

Machine Learning-Enabled Development of High Performance Gradient-Index Phononic Crystals for Energy Focusing and Harvesting

Number of pages: 23 Posted: 27 Jul 2022
Working Paper Series
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Korea University, Korea University - Department of Nano Bio Information Technology, affiliation not provided to SSRN, University of California Berkeley, Sungkyunkwan University and Korea Advanced Institute of Science and Technology (KAIST) - Department of Mechanical Engineering
Downloads 22
26.

Optimization of Pharmaceutical Wastewater Treatment by Biosorption Using Genetic Algorithm

Green Chemistry & Technology Letters
Number of pages: 8 Posted: 17 Mar 2021
Accepted Paper Series
Caledonian College of Engineering and National University of Science & Technology
Downloads 22
27.

Reality in a Few Thermodynamic Reference Frames: Statistical Thermodynamics From Boltzmann via Gibbs to Einstein

Number of pages: 14 Posted: 16 Jul 2020
Working Paper Series
Institute of Philosophy and Sociology - Bulgarian Academy of Sciences
Downloads 22
28.

Automated Water Test Strip Reader

Number of pages: 12 Posted: 07 Jun 2021
Working Paper Series
K. J. Somaiya College of Engineering, K. J. Somaiya College of Engineering, K. J. Somaiya College of Engineering and K. J. Somaiya college of EngineeringNinad's research Lab
Downloads 21
29.

Incorporative Mixing in Microreactors: Influence on Reactions and Importance of Inlet Designation

Number of pages: 26 Posted: 20 Jun 2022
Working Paper Series
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 21
30.

Mechanics of Micropillar Confined Thin Film Plasticity

Number of pages: 19 Posted: 23 Feb 2022
Working Paper Series
Carnegie Mellon University - Department of Civil & Environmental Engineering, Siemens Corporate Technology and Carnegie Mellon University - Department of Civil & Environmental Engineering
Downloads 21
31.

Retention Index Based Approach for Simulation of Results and Application for Validation of Compound Identification in Comprehensive Two-Dimensional Gas Chromatography

Number of pages: 16 Posted: 25 Jan 2022
Working Paper Series
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 20
32.

State of Health Estimation for Supercapacitors Based on Deep Learning Networks and Bayesian Optimization

Number of pages: 23 Posted: 23 Mar 2022
Working Paper Series
Ningbo University, Ningbo University and Ningbo University
Downloads 20
33.

Adjusting Porous Media Properties to Enhance the Gas-Phase Oer for Pem Water Electrolysis in 3d Simulations

Number of pages: 43 Posted: 25 Apr 2022
Working Paper Series
University of South Carolina, University of Cincinnati, affiliation not provided to SSRN, Chiang Mai University and University of South Carolina
Downloads 19
34.

Electrocardiogram Based Arrhythmia Classification Using Wavelet Transform with Deep Learning Model

Number of pages: 13 Posted: 20 Apr 2022
Working Paper Series
Rajshahi University of Engineering and Technology, affiliation not provided to SSRN and RMIT University
Downloads 19
35.

Inflation and the Local Flatness Theorem

Number of pages: 12 Posted: 22 Mar 2022
Working Paper Series
The University of Arizona
Downloads 19
36.

Theoretical Study of the Rotary Electrostatic Generators Based on a Universal Equivalent Circuit Model

Number of pages: 20 Posted: 31 Mar 2022
Working Paper Series
Tsinghua University, Tsinghua University, Tsinghua University, Tsinghua University, Tsinghua University, Tsinghua University and Tsinghua University
Downloads 19
37.

Modeling Acoustic Cavitation with Inhomogeneous Polydisperse Bubble Population on a Large Scale

Number of pages: 21 Posted: 06 Apr 2022
Working Paper Series
Clausthal University of Technology - Institute of Applied Mechanics, affiliation not provided to SSRN, affiliation not provided to SSRN and Clausthal University of Technology
Downloads 18
38.

Dynamic Simulation and Control of Hot Potassium Carbonate-Based Post-Combustion Co2 Capture System

Number of pages: 34 Posted: 17 Feb 2022
Working Paper Series
Curtin University, Malaysia Campus. and affiliation not provided to SSRN
Downloads 17
39.

Finite Element Analysis of Crack and Slotted Lever Quick Return Mechanism for Shaper Application

Number of pages: 12 Posted: 23 Apr 2022
Working Paper Series
Dilla University and Dilla University
Downloads 17
40.

Performance Assessment and Optimization of Forward Osmosis-Low Pressure Ultrafiltration Hybrid System Using Machine Learning for Rhodamine B Removal

Number of pages: 50 Posted: 29 Jun 2022
Working Paper Series
University of South Carolina, affiliation not provided to SSRN, affiliation not provided to SSRN, Kwangwoon University, Kwangwoon University, Kyungpook National University, affiliation not provided to SSRN and University of South Carolina
Downloads 17
41.

Informatics as a Branch in Indian Academics with Case of Private Universities: Emphasizing Biological Information Sciences

Current Trends in Biotechnology and Chemical Research, 7(1-2), 37-42. ISSN 2249-4073
Number of pages: 6 Posted: 06 Mar 2018
Accepted Paper Series
Raiganj University and Institute of Management and Commerce, Srinivas University
Downloads 16
42.

Monte Carlo Simulation of Hdr Brachytherapy Dosimetric Parameters in Different Mediums

Number of pages: 8 Posted: 22 Mar 2022
Working Paper Series
Universiti Sains Malaysia (USM) - Universiti Sains Malaysia, Universiti Sains Malaysia (USM) - Universiti Sains Malaysia, Universiti Sains Malaysia (USM) - Universiti Sains Malaysia and Universiti Sains Malaysia (USM) - Universiti Sains Malaysia
Downloads 16
43.

A New Approach for Accurate Determination of Particle Sizes in Microfluidic Impedance Cytometry

Number of pages: 21 Posted: 14 May 2022
Working Paper Series
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 15
44.

Blockers of PCSK9 Ribosome Synthesis: Computational Predictions and in Vitro Confirmation

Number of pages: 18 Posted: 24 Mar 2022
Working Paper Series
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Montreal Clinical Research Institute and Hebrew University of Jerusalem - Faculty of Medicine, Institute for Drug Research
Downloads 15
45.

Deep Learning from Physicochemical Information of Concrete with an Artificial Language for Property Prediction and Reaction Discovery

Number of pages: 37 Posted: 22 Jun 2022
Working Paper Series
Stevens Institute of Technology, Stevens Institute of Technology, Stevens Institute of Technology and Stevens Institute of Technology
Downloads 15
46.

Machine Learning-Assisted Lateral Flow Assay for Detecting COVID-19 and Influenza

Number of pages: 27 Posted: 19 Jul 2022
Working Paper Series
Kangwon National University - Department of Electrical Engineering, Catholic Kwandong University, Kwangwoon University, Korea University, Kwangwoon University, Kwangwoon University, Korea University, CALTH Inc., CALTH Inc., The Catholic University of Korea, The Catholic University of Korea, Korea University - School of Biomedical Engineering and Kangwon National University - Department of Electrical Engineering
Downloads 15
47.

Numerical investigation and experimental validation of controlled venting of Helium from a high pressure gas bottle

Number of pages: 6 Posted: 09 May 2022
Working Paper Series
ISRO, Trivandrum, College of Engineering Trivandrum,, ISRO, Trivandrum and ISRO, Trivandrum
Downloads 15
48.

Computational Analysis of Heterogeneous Nucleation and Precipitation in AA6005 Al-Alloy During Continuous Cooling DSC Experiments

Number of pages: 32 Posted: 11 Feb 2022
Working Paper Series
Institute of Materials Science and Technology - Christian Doppler Laboratory for Interfaces and Precipitation Engineering CDL-IPE, Institute of Materials Science and Technology, University of Rostock - Competence Centre CALOR, Department Life, Light and Matter, University of Rostock - CALOR – Competence Centre Thermal analysis and Calorimetry Rostock, Department Life, Light & Matter and Institute of Materials Science and Technology - Christian Doppler Laboratory for Interfaces and Precipitation Engineering CDL-IPE
Downloads 14
49.

Effect of Mesoscale Structures on Solid Phase Stress in Gas-Solid Flows

Number of pages: 24 Posted: 23 Mar 2022
Working Paper Series
Chinese Academy of Sciences (CAS), Chinese Academy of Sciences (CAS) and Chinese Academy of Sciences (CAS)
Downloads 14
50.

Interpretable Machine Learning Framework to Predict the Performance of Catalysts for Dry Reforming of Methane

Number of pages: 48 Posted: 11 Jul 2022
Working Paper Series
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Yonsei University, Seoul National University of Science and Technology and Korea Institute of Industrial Technology (KITECH)
Downloads 14