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Igor Omelyan
Igor Omelyan
Institute for Condensed Matter Physics, National Academy of Sciences of Ukraine
Bestätigte E-Mail-Adresse bei icmp.lviv.ua - Startseite
Titel
Zitiert von
Zitiert von
Jahr
Symplectic analytically integrable decomposition algorithms: classification, derivation, and application to molecular dynamics, quantum and celestial mechanics simulations
IP Omelyan, IM Mryglod, R Folk
Computer Physics Communications 151 (3), 272-314, 2003
3442003
AMBER 2018, University of California, San Francisco, 2018
DA Case, JT Berryman, RM Betz, DS Cerutti, TE Cheatham III, TA Darden, ...
There is no corresponding record for this reference, 2015
2502015
Generalized collective modes for the Lennard-Jones fluid
IM Mryglod, IP Omelyan, MV Tokarchuk
Molecular Physics 84 (2), 235-259, 1995
1581995
Optimized Verlet-like algorithms for molecular dynamics simulations
IP Omelyan, IM Mryglod, R Folk
Physical Review E 65 (5), 056706, 2002
1462002
AMBER; University of California: San Francisco, CA, 2015
DA Case, JT Berryman, RM Betz, DS Cerutti, TEIII Cheatham, TA Darden, ...
141*2016
Optimized Forest–Ruth-and Suzuki-like algorithms for integration of motion in many-body systems
IP Omelyan, IM Mryglod, R Folk
Computer Physics Communications 146 (2), 188-202, 2002
1302002
Construction of high-order force-gradient algorithms for integration of motion in classical and quantum systems
IP Omelyan, IM Mryglod, R Folk
Physical Review E 66 (2), 026701, 2002
1282002
AmberTools 16
DA Case, RM Betz, W Botello-Smith, DS Cerutti, TE Cheatham III, ...
University of California, San Francisco, 2016
1212016
AMBER 2018
DA Case, SR Brozell, DS Cerutti, TEIII Cheatham, VWD Cruzeiro, ...
University of California, San Francisco, 2018
115*2018
On the numerical integration of motion for rigid polyatomics: The modified quaternion approach
IP Omelyan
Computers in Physics 12 (1), 97-103, 1998
1141998
AMBER 2016
DA Case, RM Betz, DS Cerutti, TEIII Cheatham, TA Darden, RE Duke, ...
University of California, San Francisco, 2016
102*2016
Algorithm for molecular dynamics simulations of spin liquids
IP Omelyan, IM Mryglod, R Folk
Physical review letters 86 (5), 898, 2001
972001
Algorithm for numerical integration of the rigid-body equations of motion
IP Omelyan
Physical Review E 58 (1), 1169, 1998
821998
Generalized mode approach. 1. Transverse time correlation functions and generalized shear viscosity of a Lennard-Jones fluid
IM Mryglod, IP Omelyan
Molecular physics 90 (1), 91-99, 1997
55*1997
AMBER 2018
TA Darden, RE Duke, D Ghoreishi, MK Gilson, H Gohlke, AW Goetz, ...
University of California, San Francisco, 2018
502018
Unification of the kinetic and hydrodynamic approaches in the theory of dense gases and liquids
DN Zubarev, VG Morozov, IP Omelyan, MV Tokarchuk
Theoretical and Mathematical Physics 96 (3), 997-1012, 1993
501993
Kinetic equations for dense gases and liquids
DN Zubarev, VG Morozov, IP Omelyan, MV Tokarchuk
Teoreticheskaya i Matematicheskaya Fizika 87 (1), 113-129, 1991
481991
Compressibility of tert-Butyl Alcohol-Water Mixtures: The Rism Theory
I Omelyan, A Kovalenko, F Hirata
Journal of Theoretical and Computational Chemistry 2 (02), 193-203, 2003
472003
MTS-MD of biomolecules steered with 3D-RISM-KH mean solvation forces accelerated with generalized solvation force extrapolation
I Omelyan, A Kovalenko
Journal of Chemical Theory and Computation 11 (4), 1875-1895, 2015
422015
Longitudinal wavevector-and frequency-dependent dielectric constant of the TIP4P water model
IP Omelyan
Molecular Physics 93 (1), 123-136, 1998
361998
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