Add to ORKGsummary:In the first part of the paper we survey some algorithms which describe time evolution of interacting particles in a bounded domain. Applications to macroscale as well as microscale are presented on two examples: motion of planets and collision of two bodies. In the second part of the paper we present solution to stationary Schr\"{o}dinger equation for simple molecular models
Multiscale techniques bridge what is often mutually excluding in computer models: accuracy and effic...
We consider computational methods for simulating the dynamics of molecular systems governed by the t...
Classical molecular dynamics simulation of a macromolecule requires the use of an efficient time-ste...
summary:In the first part of the paper we survey some algorithms which describe time evolution of in...
Abstract: This paper considers numerical methods in molecular dynamics. An overview of the...
n this article, we overview the general algorithms for simulation of equilibrium systems by molecula...
Abstract: Molecular simulations have become a powerful tool in investigating the micro-scopic behavi...
Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the ...
This dissertation presents three research projects on novel methods in computational bio- physics. E...
The purpose of this project is to develop an algorithm that speeds up large scale simulations of ma...
Computer simulation of matter using Molecular Dynamics (MD) is a staple in the field of Molecular Bi...
This paper presents some open mathematical questions in molecular simulation and related topics. Mol...
Motion planning is a fundamental problem in robotics that has motivated active research from more th...
.ABSTRACT: We evaluate several multiple time step MTS molecular .dynamics MD methods with respect to...
Second and revised edition Understanding Molecular Simulation: From Algorithms to Applications ex...
Multiscale techniques bridge what is often mutually excluding in computer models: accuracy and effic...
We consider computational methods for simulating the dynamics of molecular systems governed by the t...
Classical molecular dynamics simulation of a macromolecule requires the use of an efficient time-ste...
summary:In the first part of the paper we survey some algorithms which describe time evolution of in...
Abstract: This paper considers numerical methods in molecular dynamics. An overview of the...
n this article, we overview the general algorithms for simulation of equilibrium systems by molecula...
Abstract: Molecular simulations have become a powerful tool in investigating the micro-scopic behavi...
Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the ...
This dissertation presents three research projects on novel methods in computational bio- physics. E...
The purpose of this project is to develop an algorithm that speeds up large scale simulations of ma...
Computer simulation of matter using Molecular Dynamics (MD) is a staple in the field of Molecular Bi...
This paper presents some open mathematical questions in molecular simulation and related topics. Mol...
Motion planning is a fundamental problem in robotics that has motivated active research from more th...
.ABSTRACT: We evaluate several multiple time step MTS molecular .dynamics MD methods with respect to...
Second and revised edition Understanding Molecular Simulation: From Algorithms to Applications ex...
Multiscale techniques bridge what is often mutually excluding in computer models: accuracy and effic...
We consider computational methods for simulating the dynamics of molecular systems governed by the t...
Classical molecular dynamics simulation of a macromolecule requires the use of an efficient time-ste...