QCHEM LAB at KNU
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4:18
Part 7: How to deal with not-converged SCF
QCHEM LAB at KNU
50 views • 6 months ago
8:01
Part 6: Optimizer options and Conical Intersection
QCHEM LAB at KNU
26 views • 6 months ago
2:12
Part 5: How to use .json file for geometry optimization
QCHEM LAB at KNU
32 views • 6 months ago
11:12
Part 4: A quick interpretation of the .log file
QCHEM LAB at KNU
21 views • 6 months ago
11:30
Part 3: Detailed introduction to Input options
QCHEM LAB at KNU
42 views • 6 months ago
3:31
Part 2: How to install OQP
QCHEM LAB at KNU
27 views • 6 months ago
4:10
Part 1: Quick introduction to OQP abilities
QCHEM LAB at KNU
66 views • 6 months ago
57:17
MRSF-TDDFT: (Balancing Dynamic and NonDynamic Electron Correlations)
QCHEM LAB at KNU
196 views • 1 year ago
15:01
MRSF-TDDFT: A simple yet powerful quantum theory
QCHEM LAB at KNU
526 views • 1 year ago
23:35
QM-rooted multiscale simulation: eyes to see the unseen, buried electric double layer
QCHEM LAB at KNU
21 views • 1 year ago
31:33
NHISS 2022 closing
QCHEM LAB at KNU
13 views • 1 year ago
31:31
Nonadiabatic dynamics in the long timescale: the next challenge in computational photochemistry
QCHEM LAB at KNU
104 views • 1 year ago
25:45
Calculating the adsorption energy of a charged adsorbent in a periodic metallic system-the case ...
QCHEM LAB at KNU
90 views • 1 year ago
28:00
Calculation of Exciton Couplings Based on Density-Functional Tight-Binding Approach with ...
QCHEM LAB at KNU
143 views • 1 year ago
27:55
Multireference quantum chemistry for exploring potential energy surfaces
QCHEM LAB at KNU
156 views • 1 year ago
29:10
Probing photochemistry in protein environment : QM/MM study on Rhodopsins
QCHEM LAB at KNU
61 views • 1 year ago
36:00
NAST : Nonadiabatic statistical theory package for predicting kinetics of spin-dependent processes
QCHEM LAB at KNU
60 views • 1 year ago
25:12
DFT on Expensive GPU-based Supercomputer
QCHEM LAB at KNU
43 views • 1 year ago
30:10
Paragatic observations over the development of software in Quantum Chemistry
QCHEM LAB at KNU
14 views • 1 year ago
24:35
Nonlinear UV Molecular Spectroscopy, X-ray Chiral Dichroism spectroscopy, and Optical Cavity ...
QCHEM LAB at KNU
29 views • 1 year ago
27:27
Efficient and accurate van der Waals correction for density functional approaches in material...
QCHEM LAB at KNU
184 views • 1 year ago
22:04
Recently added features in DCDFTBMD program : lectured by Yoshifumi Nishimura
QCHEM LAB at KNU
41 views • 1 year ago
31:10
Energy-Screened Fragmentation Approach for Large-Scale Electronic Structure Calculations
QCHEM LAB at KNU
20 views • 1 year ago
31:11
Towards smart algorithms of structural minimization of low-dimensional lattices: Quantum stability..
QCHEM LAB at KNU
33 views • 1 year ago
27:29
Exploring potential energy surfaces with the unified reaction valley approach (URVA)
QCHEM LAB at KNU
38 views • 1 year ago
28:54
Electronic-Structure Informatics: Concept, Method, Applications, and Plausible Extension
QCHEM LAB at KNU
31 views • 1 year ago
23:40
Unraveling the photochemical mechanism of Iron tris-2,2'-bipyridine via wavepacket dynamics
QCHEM LAB at KNU
37 views • 1 year ago
25:12
High-lever Multireference Computations Using COLUMBUS-Going Open-Sourece : lectured by Felix Plasser
QCHEM LAB at KNU
39 views • 1 year ago
22:59
A non-hermitian approach to the representability issue in density-matrix embedding theory
QCHEM LAB at KNU
183 views • 1 year ago
22:08
Computation of accurate molecular polarizabilities for establishing quantitative Raman spectroscopy
QCHEM LAB at KNU
11 views • 1 year ago
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