activity
20192023
most citedA smile is all you need: Predicting limiting activity coefficients from SMILES with natural language processing

80 citations · 279 across the 12 of their papers we have counts for

collaborators
Showing 2022Show all

4 papers · 1 filter

math.OC2022★ 8 cited

Where to Market Flexibility? Optimal Participation of Industrial Energy Systems in Balancing-Power, Day-Ahead, and Continuous Intraday Electricity Markets

Niklas Nolzen, Alissa Ganter, Nils Baumgärtner +2

The rising share of volatile renewable generation increases the demand for flexibility in the electricity grid. Flexible capacity can be offered by industrial energy systems throug…

physics.chem-ph2022★ 75 cited

SPT-NRTL: A physics-guided machine learning model to predict thermodynamically consistent activity coefficients

Benedikt Winter, Clemens Winter, Timm Esper +2

The availability of property data is one of the major bottlenecks in the development of chemical processes, often requiring time-consuming and expensive experiments or limiting the…

physics.chem-ph2022★ 80 cited

A smile is all you need: Predicting limiting activity coefficients from SMILES with natural language processing

Benedikt Winter, Clemens Winter, Johannes Schilling +1

Knowledge of mixtures' phase equilibria is crucial in nature and technical chemistry. Phase equilibria calculations of mixtures require activity coefficients. However, experimental…

math.OC2022★ 9 cited

Demand Response for Flat Nonlinear MIMO Processes using Dynamic Ramping Constraints

Florian Joseph Baader, Philipp Althaus, André Bardow +1

Volatile electricity prices make demand response (DR) attractive for processes that can modulate their production rate. However, if nonlinear dynamic processes must be scheduled si…