International audienceQuaternions are generalized complex numbers and represent rotations in space as ordinary complex numbers represent rotations in a plane. In the context of molecular dynamics (MD) simulations they have been ‘rediscovered’ for the integration of the rotational equation of motion of rigid molecules since they allow one to write down these equations in a singularity-free form. In this paper applications to the analysis of molecular systems are described
Quaternions are a number system that has become increasingly useful for representing the rotations o...
Quaternions are presented in various ways: as pairs of complex numbers, using vectors, as 2 × 2-dime...
The final publication is available at link.springer.comThe main non-singular alternative to 3×3 prop...
International audienceQuaternions are generalized complex numbers and represent rotations in space a...
International audienceIt is known that the rotational equation of motion of rigid molecules in MD si...
Rotations are an integral part of various computational techniques and mechanics. The objective in t...
The need for a formal definition of a reorientation event in molecular dynamics simulations is recog...
The theory of quaternions was discovered in the middle of nineteenth century and they were commonly ...
A revised version of the quaternion approach for numerical integration of the equations of motion fo...
The theory of quaternions was introduced in the mid nineteenth century, and it found many applicatio...
William Rowan Hamilton invented the quaternions in 1843, in his effort to construct hypercomplex num...
Geometric manipulation of molecules is an essential elementary component in computational modeling p...
The parameterization of rotations is a central topic in many theoretical and applied fields such as ...
Massively parallel biophysical molecular dynamics simulations, coupled with efficient methods, promi...
This paper is written to aid the readers to understand application of Euler angles and quaternion in...
Quaternions are a number system that has become increasingly useful for representing the rotations o...
Quaternions are presented in various ways: as pairs of complex numbers, using vectors, as 2 × 2-dime...
The final publication is available at link.springer.comThe main non-singular alternative to 3×3 prop...
International audienceQuaternions are generalized complex numbers and represent rotations in space a...
International audienceIt is known that the rotational equation of motion of rigid molecules in MD si...
Rotations are an integral part of various computational techniques and mechanics. The objective in t...
The need for a formal definition of a reorientation event in molecular dynamics simulations is recog...
The theory of quaternions was discovered in the middle of nineteenth century and they were commonly ...
A revised version of the quaternion approach for numerical integration of the equations of motion fo...
The theory of quaternions was introduced in the mid nineteenth century, and it found many applicatio...
William Rowan Hamilton invented the quaternions in 1843, in his effort to construct hypercomplex num...
Geometric manipulation of molecules is an essential elementary component in computational modeling p...
The parameterization of rotations is a central topic in many theoretical and applied fields such as ...
Massively parallel biophysical molecular dynamics simulations, coupled with efficient methods, promi...
This paper is written to aid the readers to understand application of Euler angles and quaternion in...
Quaternions are a number system that has become increasingly useful for representing the rotations o...
Quaternions are presented in various ways: as pairs of complex numbers, using vectors, as 2 × 2-dime...
The final publication is available at link.springer.comThe main non-singular alternative to 3×3 prop...
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