검색결과 : 16건
| No. | Article |
|---|---|
| 1 |
Molecular Dynamics in the Energy Sector: Experiment and Modeling of the CO2/CH4 Mixture Schenk MR, Koddermann T, Kirschner KN, Knauer S, Reith D Journal of Chemical and Engineering Data, 65(3), 1117, 2020 |
| 2 |
SkaSim - Scalable HPC Software for Molecular Simulation in the Chemical Industry Vrabec J, Bernreuther M, Bungartz HJ, Chen WL, Cordes W, Fingerhut R, Glass CW, Gmehling J, Hamburger R, Heilig M, Heinen M, Horsch MT, Hsieh CM, Hulsmann M, Jager P, Klein P, Knauer S, Koddermann T, Koster A, Langenbach K, Lin ST, Neumann P, Rarey J, Reith D, Rutkai G, Schappals M, Schenk M, Schedemann A, Schonherr M, Seckler S, Stephan S, Stobener K, Tchipev N, Wafai A, Werth S, Hasse H Chemie Ingenieur Technik, 90(3), 295, 2018 |
| 3 |
First principles calculations on the effect of interstitial oxygen on phase stability and beta-alpha aEuro(3) martensitic transformation in Ti-Nb alloys Salloom R, Reith D, Banerjee R, Srinivasan SG Journal of Materials Science, 53(16), 11473, 2018 |
| 4 |
Interfacial Tension and Related Properties of Ionic Liquids in CH4 and CO2 at Elevated Pressures: Experimental Data and Molecular Dynamics Simulation Knauer S, Schenk MR, Koddermann T, Reith D, Jaeger P Journal of Chemical and Engineering Data, 62(8), 2234, 2017 |
| 5 |
Computer Simulation Studies of Chain Dynamics in Polymer Brushes Reith D, Milchev A, Virnau P, Binder K Macromolecules, 45(10), 4381, 2012 |
| 6 |
Liquid-liquid equilibria of dipropylene glycol dimethyl ether and water by molecular dynamics Koddermann T, Kirschner KN, Vrabec J, Hulsmann M, Reith D Fluid Phase Equilibria, 310(1-2), 25, 2011 |
| 7 |
Economic simplex optimization for broad range property prediction: Strengths and weaknesses of an automated approach for tailoring of parameters Mueller TJ, Roy S, Zhao W, Maass A, Reith D Fluid Phase Equilibria, 274(1-2), 27, 2008 |
| 8 |
An improved dimethyl sulfoxide force field for molecular dynamics simulations Bordat P, Sacristan J, Reith D, Girard S, Glattli A, Muller-Plathe F Chemical Physics Letters, 374(3-4), 201, 2003 |
| 9 |
Properties of poly(isoprene): Model building in the melt and in solution Faller R, Reith D Macromolecules, 36(14), 5406, 2003 |
| 10 |
How does the chain extension of poly (acrylic acid) scale in aqueous solution? A combined study with light scattering and computer simulation Reith D, Muller B, Muller-Plathe F, Wiegand S Journal of Chemical Physics, 116(20), 9100, 2002 |