Mathematical Numerical Simulations in Chemical Physics
A special issue of Mathematics (ISSN 2227-7390). This special issue belongs to the section "E4: Mathematical Physics".
Deadline for manuscript submissions: closed (31 January 2024) | Viewed by 315
Special Issue Editor
2. Department of Engineering, Physics, and Technology, Bronx Community College, The City University of New York, New York, NY 10453, USA
3. Department of Applied Physics, New York University, New York, NY 11201, USA
Interests: condensed matter physics; materials science; computational chemistry; nuclear medicine
Special Issue Information
Dear Colleagues,
Mathematical numerical simulations are a convergence of computer science, mathematics, physics, chemistry, and sometimes materials science. It is at the interface between these disciplines where most exciting new developments in the field of numerical simulation are being made. The use of mathematical numerical simulations in chemical physics allows a significant reduction in the molecular and material costs associated with production. However, it is imperative for a chemical physicist to use correct numerical simulation approaches in modeling. Considering the current level of advanced mathematical numerical simulations, this Special Issue illuminates how chemical physicists should properly define the chemical and physical problem statement, choose the mathematical numerical simulation approach, and use computer and software applications during the solution of a particular problem. This Special Issue will be a practical reference for professors, graduate students, and research scientists in both academic and industrial settings when choosing the most appropriate mathematical modeling method to solve chemical physics problems, and at the same time, it will appeal to a broad audience interested in the general field of chemical physics and computational chemistry. This Special Issue aims to focus the chemical physics community’s attention on the bridge that exists between mathematical numerical simulations and other related fields of chemical physics.
Dr. Eugene Mananga
Guest Editor
Manuscript Submission Information
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Keywords
- spin dynamics
- quantum computing
- nuclear magnetic resonance
- chemical physics
- mathematical numerical simulation
- density functional theory
- Monte Carlo method
- molecular dynamics method
- computer simulation of polymers
- computer simulation methods for nonadiabatic dynamics in condensed systems
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