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mTAPS: Finding Multiple Parallel Minimum Free Energy Pathways via the Travelling-Salesman Based Auto
Jun 12 2019
QM and QM/MM Studies of Selectivities in Metalloenzymes
Jun 11 2019
Interfacial Energy Conversion and Migration on Nanomaterials
Jun 5 2019
2019 International Symposium on Quantum Effects in Chemistry and Biology
Jun 1 2019
Molecular Details of Gating in Mechanosensitive Ion Channels
May 31 2019
Multiscale Density Functional Theories for Structural and Thermodynamic Properties of Interface
May 22 2019
Dynamical Correlation Effects on Photoisomerization: Ab Initio Multiple Spawning Dynamics with MS-CA
May 6 2019
Oligonucleotide Aptamers for Therapeutic and Biotechnology Applications: Challenges and Possibilitie
Apr 30 2019
Exploring Gas-Surface Reaction Dynamics with Neural Network High-Dimensional Potential Energy
Apr 24 2019
Development of Multiscale QM/MM Method Combined with Resolution-Adapted and Neural Network Models
Apr 17 2019
Excited-State Electronic Structures and Nonadiabatic Dynamics of Complex Systems
Apr 3 2019
Stationary Points Never Go Anywhere! Efficient Paths Through Potential Energy Landscapes
Mar 27 2019

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