simulations

Controlling quantumness: Simulations reveal details about how particles interact

A recent study has described new states that can be found in super-cold atom experiments, which could have applications for quantum technology.




simulations

Controlling quantumness: Simulations reveal details about how particles interact

A recent study at the Okinawa Institute of Science and Technology Graduate University has described new states that can be found in super-cold atom experiments, which could have applications for quantum technology.




simulations

Supercomputer simulations present potential active substances against coronavirus

Several drugs approved for treating hepatitis C viral infection were identified as potential candidates against COVID-19, a new disease caused by the SARS-CoV-2 coronavirus. This is the result of research based on extensive calculations using the MOGON II supercomputer at Johannes Gutenberg University Mainz (JGU). One of the most powerful computers in the world,




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Urban Waste to Energy Recovery Assessment Simulations for Developing Countries

In this paper, a quantitative Waste to Energy Recovery Assessment (WERA) framework is used to stochastically analyze the feasibility of waste-to-energy systems in selected cities in Asia.




simulations

Hepatitis C drugs may help fight COVID-19, supercomputer simulations suggest

Berlin, May 5: Several drugs approved for the treatment of hepatitis C viral infection have been identified as potential candidates against COVID-19 caused by the SARS-CoV-2 coronavirus, according to a study based on extensive calculations using supercomputer simulations.




simulations

Simulations reveal how sharp boundaries endure in soft tissue

Research could help explain how cells organize into complex living systems




simulations

Molecular simulations and understanding of antifouling zwitterionic polymer brushes

J. Mater. Chem. B, 2020, 8,3814-3828
DOI: 10.1039/D0TB00520G, Paper
Yonglan Liu, Dong Zhang, Baiping Ren, Xiong Gong, Lijian Xu, Zhang-Qi Feng, Yung Chang, Yi He, Jie Zheng
Zwitterionic materials demonstrate the strong surface hydration to empower their antifouling property.
The content of this RSS Feed (c) The Royal Society of Chemistry




simulations

From models to simulations / Franck Varenne

Hayden Library - QH324.2.V37 2019




simulations

The evolution of complexity: simple simulations of major innovations / Larry Bull

Online Resource




simulations

Origin of short- and medium-range order in supercooled liquid Ge3Sb2Te6 using ab initio molecular dynamics simulations

Phys. Chem. Chem. Phys., 2020, 22,9759-9766
DOI: 10.1039/D0CP00389A, Paper
Chong Qiao, Y. R. Guo, Songyou Wang, Yu Jia, Cai-Zhuang Wang, Kai-Ming Ho
The disordered clusters in Ge3Sb2Te6 change to ordered octahedrons by adjustment of the bond-angle relationship as the temperature decreases.
The content of this RSS Feed (c) The Royal Society of Chemistry




simulations

Salt parameterization can drastically affect the results from classical atomistic simulations of water desalination by MoS2 nanopores

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP00484G, Paper
João P. K. Abal, José Rafael Bordin, Marcia C. Barbosa
In this paper we show how distinct water and ion models affect the simulation of water purification using MoS2 nanopores.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




simulations

The excited-state relaxation mechanism of potential UVA-activated phototherapeutic molecules: trajectory surface hopping simulations of both 4-thiothymine and 2,4-dithiothymine

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP01450H, Paper
Jun Cao, Dong-chu Chen
Both molecules share energetically accessible crossing pathways, but have differences in atomic details during excited state relaxation.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




simulations

Magnetic excitations and geometric confinement : theory and simulations / Gary Matthew Wysin

Wysin, Gary Matthew, author




simulations

Exploring the cognitive, social, cultural, and psychological aspects of gaming and simulations / Brock R. Dubbels, editor

Hayden Library - GV1469.34.P79 E97 2019




simulations

[ASAP] Steering Molecular Dynamics Simulations of Membrane-Associated Proteins with Neutron Reflection Results

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00136




simulations

[ASAP] Quantitative Prediction of the Structure and Viscosity of Aqueous Micellar Solutions of Ionic Surfactants: A Combined Approach Based on Coarse-Grained MARTINI Simulations Followed by Reverse-Mapped All-Atom Molecular Dynamics Simulations

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00229




simulations

[ASAP] Kernel-Based Machine Learning for Efficient Simulations of Molecular Liquids

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01256




simulations

[ASAP] Polarizable Molecular Dynamics Simulations of Two <italic toggle="yes">c-kit</italic> Oncogene Promoter G-Quadruplexes: Effect of Primary and Secondary Structure on Loop and Ion Sampling

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00191




simulations

[ASAP] Stability of Two-Quartet G-Quadruplexes and Their Dimers in Atomistic Simulations

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01068




simulations

[ASAP] Fluid Dynamic and Heat Transfer Simulations of Solid Hollow Fiber Cooling Crystallizer for Continuous Synthesis of Drug Nanoparticles

Crystal Growth & Design
DOI: 10.1021/acs.cgd.0c00307




simulations

JET simulations, experiments, and theory: ten years after JETSET. What is next? / Christophe Sauty, editor

Online Resource




simulations

Restricted active space simulations of the metal L-edge X-ray absorption spectra and resonant inelastic X-ray scattering: revisiting [CoII/III(bpy)3]2+/3+ complexes

Inorg. Chem. Front., 2020, 7,1927-1938
DOI: 10.1039/D0QI00148A, Research Article
Meiyuan Guo, Xiaorui Liu, Rongxing He
The metal L-edge spectra of cobalt compounds have been interpreted through restricted active space calculations.
The content of this RSS Feed (c) The Royal Society of Chemistry




simulations

Molecular dynamics simulations in statistical physics: theory and applications / Hiqmet Kamberaj

Online Resource




simulations

[ASAP] Flexible Fitting of Small Molecules into Electron Microscopy Maps Using Molecular Dynamics Simulations with Neural Network Potentials

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01167




simulations

[ASAP] Brick-CFCMC: Open Source Software for Monte Carlo Simulations of Phase and Reaction Equilibria Using the Continuous Fractional Component Method

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00334




simulations

[ASAP] Finite Systems under Pressure: Assessing Volume Definition Models from Parallel-Tempering Monte Carlo Simulations

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c00881