Spaces
Apps
Templates
Create
Force Fields
All content
Space settings
Shortcuts
File lists
File lists
This trigger is hidden
Meeting notes
Meeting notes
This trigger is hidden
Content
Results will update as you type.
Science Roadmaps
Force Field Releases
Research
Bespoke Optimization
Chemical Perception
Electrostatics
Non-bonded optimization
•
Brainstorming
Co-optimisation of VdW and Electrostatics
Binary Mixture Data Feasibility Study
Co-optimisation of AM1BCC and VdW Parameters
•
2020-06-25 Meeting notes: next fitting steps
•
Bayly BCC poster
•
2020-09-04 Charge Model Meeting notes
•
2020-09-18 Charge Model Meeting notes
•
2021-01-19 Meeting notes
•
AM1BCC and VdW Refit Results
•
Bayesian Exploration of BCC Parameters
•
LJ optimization ForceBalance consistency checks
•
Surrogate-based LJ optimization
Virtual sites
GNN Charge Models
•
Optimization strategies
•
Physical properties
QM Data Generation
•
Biopolymer Force Field Plan
•
Protein Force Field Project Plan
Valence parameter improvements
Research Projects
Research plans
Benchmarking
Known issues and bugs (@striketeam)
•
Electrostatics refitting plan for Rosemary
•
Meeting notes
Blogs
Force Fields
/
/
Co-optimisation of AM1BCC and VdW Parameters
/
Bayly BCC poster
Summarize
Bayly BCC poster
Owen Madin
Owned by
Owen Madin
Last updated:
Aug 28, 2020
1 min read
Loading data...
Poster from Chris Bayly about areas of BCC's from AM1-BCC that need improvement
Open
{"serverDuration": 15, "requestCorrelationId": "1c4b07169a4349f497a683458a723efd"}
