| 1 |
COSMO-based computer-aided molecular/mixture design: A focus on reaction solvents
Austin ND, Sahinidis NV, Konstantinov IA, Trahan DW
AIChE Journal, 64(1), 104, 2018 |
| 2 |
Application and comparison of derivative-free optimization algorithms to control and optimize free radical polymerization simulated using the kinetic Monte Carlo method
Gao HY, Waechter A, Konstantinov IA, Arturo SG, Broadbelt LJ
Computers & Chemical Engineering, 108, 268, 2018 |
| 3 |
Acceleration of Kinetic Monte Carlo Simulations of Free Radical Copolymerization: A Hybrid Approach with Scaling
Gao HY, Broadbelt LJ, Konstantinov IA, Arturo SG
AIChE Journal, 63(9), 4013, 2017 |
| 4 |
On the modeling of number and weight average molecular weight of polymers
Gao H, Konstantinov IA, Arturo SG, Broadbelt LJ
Chemical Engineering Journal, 327, 906, 2017 |
| 5 |
Acceleration of Kinetic Monte Carlo Method for the Simulation of Free Radical Copolymerization through Scaling
Gao HY, Oakley LH, Konstantinov IA, Arturo SG, Broadbelt LJ
Industrial & Engineering Chemistry Research, 54(48), 11975, 2015 |
| 6 |
Regression Formulas for Density Functional Theory Calculated H-1 and C-13 NMR Chemical Shifts in Toluene-d(8)
Konstantinov IA, Broadbelt LJ
Journal of Physical Chemistry A, 115(44), 12364, 2011 |
