Keyword:molecular dynamics

Publications
Adaptive Artificial Intelligence to Teach Interactive Molecular Dynamics in the Context of Human-Computer Interaction Mustafa Demir, Sean M. Leahy, Punya Mishra, Chun Kit Chan and Abhishek Singharoy In:Proceedings of Conference on Cognitive and Computational Aspects of Situation Management 2023
Microstructure of liquid lithium silicate under influence of pressure Quynh Truong Duc, Dung Tran Thanh, Van Dung Mai and The Vinh Le In:Proceedings of International Symposium on Applied Science 2019
Accelerating Molecular Dynamics Simulations with GPU and Machine Learning Abi Cit EasyChair Preprint 13991
Quantum Synthetic Molecular Dynamics: Advanced Medical Innovations Through Entangled Phenomena of Nucleic Acids Kiran Mai Narnavaram, Dan Chia-Tien Lo, Xinyue Zhang and Bobin Deng EasyChair Preprint 13837
Simulating Solvent Effects on Chemical Reactions: a Molecular Dynamics Approach James Henry and Burak Aziz EasyChair Preprint 12157
Probing Solvent Effects on Molecular Systems: Molecular Dynamics Insights Mustafa Omer and James Henry EasyChair Preprint 12007
Unraveling Biomolecular Functionality: Molecular Dynamics Insights Basit Amir and Jane Elsa EasyChair Preprint 12005
Structural Features of Reverse AOT Micelles in Water / Cyclohexane: Molecular Dynamics Study Dilbar Bozorova, Shukur Gofurov, Mavlonbek Ziyayev and Oksana Ismailova EasyChair Preprint 7403
Temperature Expressions and Thermostats A. Samoletov and B. Vasiev EasyChair Preprint 4935
Introducing an Alternative Mathematical Model for Tracing the flow of Internal Molecular Frequency Distribution and Predicting the Pattern Exact Diffusion at Boundary of Fluid Droplet Md. Tasfiq Rahman and Chinmoy Mandal Shishir EasyChair Preprint 4528
Molecular Dynamics Investigation of Polytetrafluoroethylene Coating on Al2O3/Cr2O3/Ti2O3 for Cavitation Erosion Mitigation in Water Hydraulics Valves Masoud Kamoleka Mlela, He Xu, Haihang Wang and Vishwanath Pooneeth EasyChair Preprint 1944
Prehistory probability distribution of ion transition through graphene nanopore Carlo Guardiani, Miroslav Barabash, William Gibby, Dmitry Luchinsky, Igor Khovanov and Peter McClintock EasyChair Preprint 930