Events

Upcoming Events

Nonlinear Vibrational Spectroscopy for Molecular Surfaces/Interfaces and Beyond

Computational Chemistry Seminar Series Fall 2019

Molecular Motion and Drug Discovery under a Computational Microscope

A Shortcut to Understand Mutation Effect and Substrate Diversity in Protein Engineering: Pre-reaction State and QM/MM Calculation

Thermal and Non-thermal Microwave Effects

Investigating Water Dynamics at the Molecular Interfaces Using Dynamic Vibrational Spectroscopy

Machine Learning of Equivariant Functions Inspired by Atomistic Modelling and Three-Dimensional

Getting Something for Nothing: Classical and Machine-Learning Methods for Quantum Simulation

Mapping DNA Lesions in and out the Nucleosome

Rate Constants and Mechanisms of Intrinsically Disordered Proteins Binding to Structured Targets

Epigenetic Regulation of Heterochromatin

Development of QM/MM Methodology and Its Applications

Atomistic Simulations of Graphene Growth: From Kinetics to Mechanism

Enzyme’s Entrance/Leaving Tunnel Modification and Catalytic Site Design

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