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Precision design for polymethacrylate recycling: a radical ring-opening polymerization approach with systematic degradable thionolactone-centered triads

Bastien Luzel, Ignatii Efimov, Mariya Edeleva, Noémie Gil, Catherine Lefay, Didier Gigmes, Paul Van Steenberge, Dagmar D'hooge, Yohann Guillaneuf

Version 1 posted 17 December 2024

488

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Chemistry

Working Paper

Capture Assisted by Buoyancy: Monte Carlo Simulation of Protein Separation

S. Wilkins Taylor, Chuanlei Wang, Jeffrey N. Anker

Version 1 posted 14 August 2024

210

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1

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Chemistry

Working Paper

Investigation of the Effect of Framework Flexibility on CO2 Adsorption in SIFSIX-3-Cu using a Machine Learned Force Field

John M. Findley, Laine Roper, David Sholl, Janice A. Steckel

Version 1 posted 18 July 2025

392

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Chemistry

Working Paper

Accelerated stochastic simulation of free radical polymerization through a hybrid algorithm

Hang Yin, Yinghao Li, Wenxin Wang, Jing Lyu

Version 1 posted 24 February 2025

320

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Chemistry

Review

From Slit Pores to 3D Frameworks: Advances in Molecular Modeling of Adsorption in Nanoporous Carbons

Nicholas Corrente, Alexander Neimark

Version 1 posted 24 December 2024

507

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Chemistry

Working Paper

Tailoring Parameters for QM/MM Simulations: Accurate Modeling of Adsorption and Catalysis in Zirconium-Based Metal-Organic Frameworks

Yu-Chi Kao, Yi-Ming Wang, Jyun-Yi Yeh, Shih-Cheng Li, Kevin C.-W. Wu, Li-Chiang Lin, Yi-Pei Li

Version 1 posted 05 March 2024

599

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Chemistry

Working Paper

Asymptotic Structure of the Energy-Optimal Stochastic Control Problem in a Double-Well Potential

Arryaa Oduru

Version 1 posted 24 October 2025

90

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Chemistry

Working Paper

Quantifying Protein-Protein Interactions in Molecular Simulations

Alfredo Jost Lopez, Patrick K. Quoika, Max Linke, Gerhard Hummer, Juergen Koefinger

Version 1 posted 23 December 2019

1,097

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Chemistry

Working Paper

Uncertainty Quantification of Michaelis-Menten Kinetic Rates and Its Application to the Analysis of CRISPR-Based Diagnostics

Alexandre S. Avaro, Juan G. Santiago

Version 1 posted 12 September 2022

942

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Politics and International Relations

Working Paper

The Problem of International Lending

Hriday Singh Antal

Version 2 posted 23 November 2025

14

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10 results in Monte Carlo Simulation in Keywords: Monte Carlo Simulation

Precision design for polymethacrylate recycling: a radical ring-opening polymerization approach with systematic degradable thionolactone-centered triads

Capture Assisted by Buoyancy: Monte Carlo Simulation of Protein Separation

Investigation of the Effect of Framework Flexibility on CO2 Adsorption in SIFSIX-3-Cu using a Machine Learned Force Field

Accelerated stochastic simulation of free radical polymerization through a hybrid algorithm

From Slit Pores to 3D Frameworks: Advances in Molecular Modeling of Adsorption in Nanoporous Carbons

Tailoring Parameters for QM/MM Simulations: Accurate Modeling of Adsorption and Catalysis in Zirconium-Based Metal-Organic Frameworks

Asymptotic Structure of the Energy-Optimal Stochastic Control Problem in a Double-Well Potential

Quantifying Protein-Protein Interactions in Molecular Simulations

Uncertainty Quantification of Michaelis-Menten Kinetic Rates and Its Application to the Analysis of CRISPR-Based Diagnostics

The Problem of International Lending

10 results in Keywords: Monte Carlo Simulation