papers
Publications (7)
physics.bio-ph2015
Role of hydration and intramolecular interactions in the helix-coil transition and helix-helix assembly in a deca-alanine peptide
Dheeraj S. Tomar, Valery Weber, B. M. Pettitt +1
physics.chem-ph2011
Regularizing binding energy distributions and thermodynamics of hydration. Application to water modeled with classical and ab initio simulations
Valery Weber, Safir Merchant, D. Asthagiri
cond-mat.mtrl-sci2010
Wavefunction extended Lagrangian Born-Oppenheimer molecular dynamics
Peter Steneteg, Igor A. Abrikosov, Valery Weber +1
physics.comp-ph2005
Non-Orthogonal Density Matrix Perturbation Theory
Anders M. N. Niklasson, Valery Weber, Matt Challacombe
cond-mat.mtrl-sci2004
Ab initio linear scaling response theory: Electric polarizability by perturbed projection
Valery Weber, Anders Niklasson, Matt Challacombe
physics.chem-ph2010
Molecular packing and chemical association in liquid water simulated using ab initio hybrid Monte Carlo and different exchange-correlation functionals
Valery Weber, Safir Merchant, Purushottam D. Dixit +1
cs.IR2019
An Information Extraction and Knowledge Graph Platform for Accelerating Biochemical Discoveries
Matteo Manica, Christoph Auer, Valery Weber +9