Lukas Vlcek
Lukas Vlcek
Joint Institute for Computational Sciences, University of Tennessee, Knoxville
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Structural properties of pure simple alcohols from ethanol, propanol, butanol, pentanol, to hexanol: Comparing Monte Carlo simulations with experimental SAXS data
M Tomšič, A Jamnik, G Fritz-Popovski, O Glatter, L Vlček
The Journal of Physical Chemistry B 111 (7), 1738-1751, 2007
1622007
Influences from solvents on charge storage in titanium carbide MXenes
X Wang, TS Mathis, K Li, Z Lin, L Vlcek, T Torita, NC Osti, C Hatter, ...
Nature Energy 4 (3), 241-248, 2019
1542019
Dynamics and structure of hydration water on rutile and cassiterite nanopowders studied by quasielastic neutron scattering and molecular dynamics simulations
E Mamontov, L Vlcek, DJ Wesolowski, PT Cummings, W Wang, ...
The Journal of Physical Chemistry C 111 (11), 4328-4341, 2007
1432007
Supercritical fluid behavior at nanoscale interfaces: Implications for CO2 sequestration in geologic formations
DR Cole, AA Chialvo, G Rother, L Vlcek, PT Cummings
Philosophical Magazine 90 (17-18), 2339-2363, 2010
1192010
Surface protonation at the rutile (110) interface: explicit incorporation of solvation structure within the refined MUSIC model framework
ML Machesky, M Predota, DJ Wesolowski, L Vlcek, PT Cummings, ...
Langmuir 24 (21), 12331-12339, 2008
962008
Multimodality of structural, electrical, and gravimetric responses of intercalated MXenes to water
ES Muckley, M Naguib, HW Wang, L Vlcek, NC Osti, RL Sacci, X Sang, ...
ACS nano 11 (11), 11118-11126, 2017
892017
Dynamics of hydration water on rutile studied by backscattering neutron spectroscopy and molecular dynamics simulation
E Mamontov, DJ Wesolowski, L Vlcek, PT Cummings, J Rosenqvist, ...
The Journal of Physical Chemistry C 112 (32), 12334-12341, 2008
792008
Optimized unlike-pair interactions for water–carbon dioxide mixtures described by the SPC/E and EPM2 models
L Vlcek, AA Chialvo, DR Cole
The Journal of Physical Chemistry B 115 (27), 8775-8784, 2011
672011
Electric double layer at metal oxide surfaces: static properties of the cassiterite− water interface
L Vlcek, Z Zhang, ML Machesky, P Fenter, J Rosenqvist, DJ Wesolowski, ...
Langmuir 23 (9), 4925-4937, 2007
662007
Dynamic and structural properties of room-temperature ionic liquids near silica and carbon surfaces
S Li, KS Han, G Feng, EW Hagaman, L Vlcek, PT Cummings
Langmuir 29 (31), 9744-9749, 2013
642013
Suppression of the dynamic transition in surface water at low hydration levels: a study of water on rutile
E Mamontov, L Vlcek, DJ Wesolowski, PT Cummings, J Rosenqvist, ...
Physical Review E 79 (5), 051504, 2009
622009
Structure and Stability of SnO2 Nanocrystals and Surface-Bound Water Species
HW Wang, DJ Wesolowski, TE Proffen, L Vlcek, W Wang, LF Allard, ...
Journal of the American Chemical Society 135 (18), 6885-6895, 2013
512013
Comment on “Structure and dynamics of liquid water on rutile TiO(110)”
DJ Wesolowski, JO Sofo, AV Bandura, Z Zhang, E Mamontov, M Předota, ...
Physical Review B 85 (16), 167401, 2012
492012
Modeling the interaction between integrin-binding peptide (RGD) and rutile surface: the effect of cation mediation on Asp adsorption
C Wu, AA Skelton, M Chen, L Vlček, PT Cummings
Langmuir 28 (5), 2799-2811, 2012
402012
Correspondence between cluster-ion and bulk solution thermodynamic properties: On the validity of the cluster-pair-based approximation
L Vlcek, AA Chialvo, JM Simonson
The Journal of Physical Chemistry A 117 (44), 11328-11338, 2013
382013
Comment on parts 1 and 2 of the series “Electric double layer at the rutile (110) surface”
M Předota, L Vlcek
The Journal of Physical Chemistry B 111 (5), 1245-1247, 2007
372007
From realistic to simple models of associating fluids. II. Primitive models of ammonia, ethanol and models of water revisited
L Vl [cbreve] ek, I Nezbeda
Molecular Physics 102 (5), 485-497, 2004
342004
Materials science in the artificial intelligence age: high-throughput library generation, machine learning, and a pathway from correlations to the underpinning physics
RK Vasudevan, K Choudhary, A Mehta, R Smith, G Kusne, F Tavazza, ...
MRS communications 9 (3), 821-838, 2019
332019
Knowledge extraction from atomically resolved images
L Vlcek, A Maksov, M Pan, RK Vasudevan, SV Kalinin
ACS nano 11 (10), 10313-10320, 2017
322017
Single-ion hydration thermodynamics from clusters to bulk solutions: Recent insights from molecular modeling
L Vlcek, AA Chialvo
Fluid Phase Equilibria 407, 58-75, 2016
282016
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