Skip to main content
Login
中文
All NYU
All NYU
Login
中文
Home
Research News
Centers & Institutes
Resources & Support
Student Research
Institutes
Center for Computational Chemistry
About Us
People
Events
Seminars
Conferences
News & Focus
Graduate Program
Shanghai Track
N.E.T
Summer Program (SRPMS)
Publications
Open Position
Contact us
Main navigation
Home
Research News
Centers & Institutes
Resources & Support
Student Research
NYU Around the World
New York
Shanghai
Abu Dhabi
Accra
Berlin
Buenos Aires
Florence
London
Madrid
Paris
Prague
Sydney
Tel Aviv
Washington
Schools
Arts and Science
College of Arts and Science
College of Dentistry
College of Global Public Health
Rory Meyers College of Nursing
Courant Institute of Mathematical Sciences
Gallatin School of Individualized Study
Graduate School of Arts and Science
Institute of Fine Arts
Institute for the Study of the Ancient World
Leonard N. Stern School of Business
Liberal Studies Program
Robert F. Wagner Graduate School
School of Law
School of Medicine
School of Professional Studies
Silver School of Social Work
Steinhardt School
Tandon School of Engineering
Tisch School of the Arts
Institutes
Center for Computational Chemistry
About Us
People
Events
Seminars
Conferences
News & Focus
Graduate Program
Shanghai Track
N.E.T
Summer Program (SRPMS)
Publications
Open Position
Contact us
Events
Seminars
QM/MM Simulations of Photoinduced Electron Transfer between 7-Methoxycoumarin and Guanine Base
Room W934, NYU Shanghai New Bund Campus & Hosted via Zoom (Meeting ID: 937 2742 5780; Passcode: 335125)
Friday, March 27, 2026 9:00 - 10:00
From In-silico to In-vitro: Development of Selective Anti-cancer Mechanism via Modulation of Electron Transfer in Respiratory Complex III
Hosted via Zoom (Meeting ID: 951 3896 2321; Passcode: 366430)
Friday, March 20, 2026 9:00 - 10:00
Mapping Ultrafast Relaxation Dynamics of Large Stokes Shift Red Fluorescent Proteins
Room W934, NYU Shanghai New Bund Campus & Hosted via Zoom (Meeting ID: 960 5675 2416; Passcode: 253446)
Wednesday, March 18, 2026 9:00 - 10:00
Significance of the Dispersion Force for Ferroelectric Switching in ZnO and Related Materials
Room W934, NYU Shanghai New Bund Campus & Hosted via Zoom (Meeting ID: 934 1881 8719; Passcode: 045581)
Friday, March 13, 2026 9:00 - 10:00
Capturing Transient Species in Ionized Liquid Water and Aqueous Solutions
Room W934, NYU Shanghai New Bund Campus & Hosted via Zoom (Meeting ID: 999 2597 5781; Passcode: 893564)
Friday, February 6, 2026 9:00 - 10:00
Machine Learning-Accelerated Simulation of Ultrafast Dynamics in Complex Systems
Room S302, NYU Shanghai New Bund Campus & Hosted via Zoom (Meeting ID: 984 9242 3431; Passcode: 547829)
Friday, December 12, 2025 9:00 - 10:00
Computational Electrophysiology, Pharmacology, and AI Protein Profiling
Room W934, NYU Shanghai New Bund Campus & Hosted via Zoom (Meeting ID: 959 0148 1701; Passcode: 522345)
Monday, November 24, 2025 9:00 - 10:00
Polaritonic Spectra and Dynamics Under Vibrational Strong Coupling
Room W934, NYU Shanghai New Bund Campus & Hosted via Zoom (Meeting ID: 962 4912 7432; Passcode: 896556)
Friday, November 21, 2025 9:00 - 10:00
Mixed Quantum–classical Modeling of Quantum Materials
Hosted via Zoom (Meeting ID: 992 0169 6050; Passcode: 710161)
Wednesday, November 12, 2025 9:00 - 10:00
Designing Force Fields from Scratch
Hosted via Zoom (Meeting ID: 971 7610 1930; Passcode: 495409)
Friday, November 7, 2025 4:00 - 5:00
Harmonic and Anharmonic Vibronic Coupling Effects for Excitation Energy Transfer Dynamics of Light Harvesting Complexes
Room W934, NYU Shanghai New Bund Campus & Hosted via Zoom (Meeting ID: 974 7526 6984; Passcode: 141798)
Friday, October 31, 2025 9:00 - 10:00
Ultrafast Energy and Charge Transfer in Biomolecules, Macromolecular Receptors, and De Novo Proteins
Room W934, NYU Shanghai New Bund Campus & Hosted via Zoom (Meeting ID: 979 2183 2598; Passcode: 122297)
Friday, October 24, 2025 9:00 - 10:00
Dynamic Exciton Polaron in 2D Metal Halide Semiconductors
Room S302, NYU Shanghai New Bund Campus & Hosted via Zoom (Meeting ID: 980 1293 8284; Passcode: 475646)
Friday, October 17, 2025 9:00 - 10:00
Unraveling Deep Tunnelling in Spectroscopy with Ab Initio Instanton Theory
Room S302, NYU Shanghai New Bund Campus & Hosted via Zoom (Meeting ID: 956 2109 9847; Passcode: 843859)
Friday, October 10, 2025 9:00 - 10:00
Ab Initio Investigations on the Quantum Dynamics of Excited Carriers in Condensed Matter Systems
Room S302, NYU Shanghai New Bund Campus & Hosted via Zoom (Meeting ID: 949 7680 5655; Passcode: 968991)
Friday, September 26, 2025 9:00 - 10:00
Computational Chemistry Seminar Series – Fall 2025
NYU Shanghai New Bund Campus & Hosted via Zoom
Friday, September 12, 2025 9:00 - Friday, December 12, 2025 10:00
Ultrafast Dynamics of Complex Systems in Biology and Materials
Room W934, NYU Shanghai New Bund Campus & Hosted via Zoom (Meeting ID: 952 6407 2820; Passcode: 054212)
Friday, September 12, 2025 9:00 - 10:00
Flexible Polarizable Water Model Parameterized via Gaussian Process Regression
Room W934, NYU Shanghai New Bund Campus & Hosted via Zoom (Meeting ID: 989 8502 9456; Passcode: 025699)
Friday, May 9, 2025 9:00 - 10:00
ALTRUISM: Looking Down from the Mountaintops
Room W934, NYU Shanghai New Bund Campus & Hosted via Zoom (Meeting ID: 996 2592 2306; Passcode: 053543)
Friday, April 11, 2025 9:00 - 10:00
Ab Initio Correlated Electronic Structures: From Low-Scaling Developments to Deep Neural Network Models
Room S302, NYU Shanghai New Bund Campus & Hosted via Zoom (Meeting ID: 920 6382 1768; Passcode: 403466)
Wednesday, March 26, 2025 9:00 - 10:00
Computational Chemistry Seminar Series – Spring 2025
NYU Shanghai New Bund Campus & Hosted via Zoom
Friday, February 28, 2025 9:00 - Friday, May 9, 2025 10:00
Conferences
2024 Shanghai Frontier Symposium on Theoretical and Computational Chemistry
NYU Shanghai | 567 West Yangsi Road, Pudong New District, Shanghai, China
Saturday, December 7, 2024 8:30 - Monday, December 9, 2024 12:00
The 13th Conference on Computational Statistical Mechanics of Complex Systems
NYU Shanghai New Bund Campus | 567 West Yangsi Road, Pudong New District, Shanghai, China
Friday, November 15, 2024 2:00 - Sunday, November 17, 2024 6:00