DOI,IST REx ID,Research Group,Title of publication
10.1021/acs.jctc.5c01248,20704,"BiCh,DaAl",Scalable multitemperature free energy sampling of classical Ising spin states
10.1021/acs.jctc.5c01400,20926,"GradSch,BiCh",A universal augmentation framework for long-range electrostatics in machine learning interatomic potentials
10.1021/acs.jctc.4c00998,18452,BiCh,Response matching for generating materials and molecules
10.1021/acs.jctc.9b00907,9680,,Iterative unbiasing of quasi-equilibrium sampling
10.1021/acs.jctc.5b00823,17967,,Computational design of intrinsic molecular rectifiers based on asymmetric functionalization of N-Phenylbenzamide