• Discrete interaction model/quantum mechanical method (DIM/QM) for describing the response properties of molecules adsorbed on metal nanoparticles. Developers: Justin Moore, Lasse Jensen (Penn State University).
• Development of exact two-component relativistic theory and calculations of magnetic response parameters. Developers: Jochen Autschbach (SUNY Buffalo).
• Generalization of real-time TDDFT to include spin-orbit effects . Developers:Niri Govind (PNNL), Ken Lopata (LSU).

Dynamics on excited-state surfaces, surface hopping, GW/BSE for molecular systems, Spin-flip TDDFT, Non-collinear DFT, spin-orbit TDDFT, interface to QWalk Quantum Monte-Carlo Program (w/ Lucas Wagner University of Illinois, Urbana-Champaign)

• Parallel in Time Algorithms. Developers: Eric J. Bylaska (PNNL), Jonathan Q. Weare (University of Chicago), John H. Weare (UCSD).
• New free energy methods based on diffusion Monte-Carlo algorithm. Developers: Eric J. Bylaska (PNNL), Ying Chen (UCSD), John H. Weare (UCSD).
• Dynamic Mean Field Theory (DMFT). Developers: Duo Song (UCSD), Eric J. Bylaska (PNNL), John H. Weare (UCSD).
• Development of new methods to calculate XPS and XANES spectra. Developers: Eric J. Bylaska (PNNL), Niri Govind (PNNL), John Rehr (University of Washington).
• Implementation of electric field gradients and NMR in NWPW Developers: Eric J. Bylaska (PNNL).
• Implementation of the fast multipole method (FMM) in the combined Ab initio molecular dynamics and molecular dynamics (AIMD/MM) code. Developers: Eric J. Bylaska (PNNL).
• Constant pressure ab initio molecular dynamics. Developers: Eric J. Bylaska (PNNL).
• New implementation of the projector augmented wave method in NWPW. Developers: Eric J. Bylaska (PNNL).
• Initial implementation of orbital free DFT in NWPW. Developers: Eric J. Bylaska (PNNL).
• implementation of Hybrid openmp-mpi and offloading intel MIC algorithms in NWPW. Developers: Eric J. Bylaska (PNNL).

New NWPhys module development (w/ John Rehr University of Washington) which will include new methods to calculate XPS and XANES spectra. Interface to QWalk Quantum Monte-Carlo Program (w/ Lubos Mitas University of North Carolina).

• Development of multi-reference coupled-cluster capabilities for quasidegenerate systems. Developers: Jiri Pittner (J Heyrovsky Institute of Physical Chemistry), Karol Kowalski (PNNL).
• Electron-affinity/ionization-potential Equation-of-motion Coupled-Cluster methods. Developers: Kiran Bhaskaran-Nair (LSU), Mark Jarrell (LSU), Juana Moreno (LSU), William Shelton (LSU), Karol Kowalski (PNNL).
• Green function Coupled Cluster formalism. Developers: LSU, PNNL.

CC/EOMCC analytical gradients, Multi-reference CC formulations employing incomplete model spaces.

• Development of new algorithms for heterogeneous computer system (beyond the existing NWChem GPU implementations).
• Implementation of reduced-scaling methods for electronic structure calculations (local formulations, tensor hypercontractions, resolution-of-identity based approaches),
• Development of novel methodologies for extending temporal scales in ab-initio molecular dynamic and molecular dynamics simulations
• Approximate electronic structure methods for very large-scale simulations (various semi-empirical methods, order N->N² DFT algorithms - orbital free DFT)
• Integration and extension of existing capabilities towards predictive models for mesoscale systems (for example, aerosol particles, soil chemistry, biosystems, hormone-cofactor functionality in proteins, ionic liquids in cells, large-scale reactions containing multiple steps).