Calculation of effective interaction potentials from radial distribution functions: A reverse Monte Carlo approach AP Lyubartsev, A Laaksonen
Physical review E 52 (4), 3730, 1995
970 1995 Visualization of solvation structures in liquid mixtures DL Bergman, L Laaksonen, A Laaksonen
Journal of Molecular Graphics and Modelling 15 (5), 301-306, 1997
524 1997 M. DynaMix–a scalable portable parallel MD simulation package for arbitrary molecular mixtures AP Lyubartsev, A Laaksonen
Computer physics communications 128 (3), 565-589, 2000
469 2000 The peculiar effect of water on ionic liquids and deep eutectic solvents C Ma, A Laaksonen, C Liu, X Lu, X Ji
Chemical Society Reviews 47 (23), 8685-8720, 2018
398 2018 Microstructural and dynamical heterogeneities in ionic liquids YL Wang, B Li, S Sarman, F Mocci, ZY Lu, J Yuan, A Laaksonen, ...
Chemical reviews 120 (13), 5798-5877, 2020
327 2020 Concentration effects in aqueous NaCl solutions. A molecular dynamics simulation AP Lyubartsev, A Laaksonen
The Journal of Physical Chemistry 100 (40), 16410-16418, 1996
305 1996 Sorbents for CO 2 capture from flue gas—aspects from materials and theoretical chemistry N Hedin, LJ Chen, A Laaksonen
Nanoscale 2 (10), 1819-1841, 2010
274 2010 Hydration of ion. An ab initio molecular dynamics simulation AP Lyubartsev, K Laasonen, A Laaksonen
The Journal of Chemical Physics 114 (7), 3120-3126, 2001
258 2001 Three-dimensional structure in water− methanol mixtures A Laaksonen, PG Kusalik, IM Svishchev
The Journal of Physical Chemistry A 101 (33), 5910-5918, 1997
258 1997 Molecular dynamics simulations of dimethyl sulfoxide and dimethyl sulfoxide− water mixture A Vishnyakov, AP Lyubartsev, A Laaksonen
The Journal of Physical Chemistry A 105 (10), 1702-1710, 2001
254 2001 Molecular dynamics simulation and NMR study of water-acetonitrile mixtures H Kovacs, A Laaksonen
Journal of the American Chemical Society 113 (15), 5596-5605, 1991
219 1991 NaKA sorbents with high CO 2-over-N 2 selectivity and high capacity to adsorb CO 2 Q Liu, A Mace, Z Bacsik, J Sun, A Laaksonen, N Hedin
Chemical Communications 46 (25), 4502-4504, 2010
189 2010 Systematic coarse-graining of molecular models by the Newton inversion method A Lyubartsev, A Mirzoev, LJ Chen, A Laaksonen
Faraday discussions 144, 43-56, 2010
176 2010 Osmotic and activity coefficients from effective potentials for hydrated ions AP Lyubartsev, A Laaksonen
Physical Review E 55 (5), 5689, 1997
162 1997 Molecular dynamics simulation of a nematic liquid crystal AV Komolkin, A Laaksonen, A Maliniak
The Journal of chemical physics 101 (5), 4103-4116, 1994
162 1994 On the competition between water, sodium ions, and spermine in binding to DNA: a molecular dynamics computer simulation study N Korolev, AP Lyubartsev, A Laaksonen, L Nordenskiöld
Biophysical journal 82 (6), 2860-2875, 2002
138 2002 The electronic properties of water molecules in water clusters and liquid water Y Tu, A Laaksonen
Chemical Physics Letters 329 (3-4), 283-288, 2000
129 2000 On coarse-graining by the inverse monte carlo method: Dissipative particle dynamics simulations made to a precise tool in soft matter modeling AP Lyubartsev, M Karttunen, I Vattulainen, A Laaksonen
Soft Materials 1 (1), 121-137, 2002
127 2002 Computer simulation study of tert-butyl alcohol. 2. Structure in aqueous solution PG Kusalik, AP Lyubartsev, DL Bergman, A Laaksonen
The Journal of Physical Chemistry B 104 (40), 9533-9539, 2000
118 2000 Surface tension of water droplets: A molecular dynamics study of model and size dependencies VV Zakharov, EN Brodskaya, A Laaksonen
The Journal of chemical physics 107 (24), 10675-10683, 1997
116 1997