LAM K. HUYNH (LKH)
Contact: lamhuynh.us@gmail.com | hklam@hcmiu.edu.vn
SON T. DO (STD), together with THML, wrote the second version of the MSMC-GUI.
MINH v. DUONG (MvD)[b] implemented important features, including thermodynamic properties calculations (including the hindered internal rotation (HIR) treatment) and the kinetic analysis using both deterministic and stochastic approaches. For the phenomenological rate-constant extraction, DvM included the in-house Global Minimum Profile Error (GMPE) approach and the available rate-constant-extraction methods such as Bartis-Widom technique [1] (described by Robertson et al. [2]) and the method proposed by Miller-Klippenstein [3].
LAM K. HUYNH (LKH)[a] has served as the early contributor and the current manager of the MSMC program. He designs the structure and controls the accuracy and robustness of the program.
THONG N.-M. LE (TNML)[b] wrote the Moment-of-Inertia subroutine for the explicit HIR treatment.
HIEU H. NGUYEN (HHN)[b] wrote the first version of the testing module.
TAM V.-T. MAI (TVTM)[b] helped with the test-cases
HIEU T. NGUYEN (HTN)[b] implemented the variational transition state (VTST) treatment for reactions without an intrinsic potential barrier (i.e., canonical VTST (cVTST) and microcanonical VTST (mVTST)). HTN, together with MvD, wrote the sensitivity analysis module for the MSMC input parameters (e.g., PES and energy transfer). HTN wrote the mechanism reduction module, which is based on the sensitivity analysis results. Also, HTN wrote the new and more robust input parser and the second version of the testing module. Recently, Hieu implemented the subroutine for the auto-detection of external and internal symmetry numbers.
TRIET H.-M. LE (THML)[a], together with STD, wrote the second version of the MSMC-GUI.
Tuyn T. Phan [b]
Tri Pham [b]
GIANG H. NGUYEN (GHN)[a] is responsible for the download and feedback system.
NGHIA TRUONG (NT)[c] wrote the first version of the MSMC-GUI.
THANH N. TRUONG (TNT)[c] designed the MWMC code. MWMC, together with the FANCY program by Hans-Heinrich Carstensen (Ghent University), is the inspiration for the creation of the MSMC.
SHAOWEN ZHANG (SWZ)[d] wrote the first version of the MWMC program.
[1] MultiSpecies-MultiChannel (MSMC) – An ab initio Parallel Thermodynamic and Kinetic Code for Complex Chemical Systems
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, Minh v. Duong, Hieu T. Nguyen, Nghia Truong, Thong Le, Lam K. Huynh* , 2015, 47, 564-575 |DOI: 10.1002/kin.20930|.
[2] Global Minimum Profile Error (GMPE) - A Least-Squares-Based Approach for Extracting Macroscopic Rate Coefficients for Complex Gas-phase Chemical Reactions
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Minh v. Duong, Hieu T. Nguyen, Tam V.-T. Mai, Lam K. Huynh*, 2017 |DOI: 10.1039/C7CP06340G|.
[3] Algorithm for Auto-Generation of Hindered Internal Rotation Parameters for Complex Chemical Systems
COMPUTATIONAL AND THEORETICAL CHEMISTRY, Triet H.-M. Le, Son T. Do, Lam K. Huynh* , 2016 |DOI: 10.1016/j.comptc.2016.12.011|.
[4] MultiSpecies-MultiChannel (MSMC), Ver. 2017.12, Minh v. Duong, Hieu T. Nguyen, Triet M. Le, Tam V.-T. Mai, Nghia Truong, Son T. Do, Thong N.-M. Le, Hieu H. Nguyen, Shaowen Zhang, Thanh Truong, Lam K. Huynh
Notes
[a] International University, VNU-HCMC, VN;
[b] Institute for Computational Science and Technology (ICST), HCMC, VN;
[c] University of Utah, USA;
[d] Beijing Institute of Science, Beijing, China.
References: to be updated