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The partners will advance some of Schrödinger's undisclosed discovery programs and identify candidates against additional targets. [ABSTRACT FROM AUTHOR]

Purpose: The purpose of this paper is to study the stability analysis and optical solitary wave solutions of a (2 + 1)-dimensional nonlinear Schrödinger equation, which are derived from a multicomponent plasma with nonextensive distribution. Design Methodology Approach: Based on the ansatz and sub-equation theories, the authors use a direct method to find stability analysis and optical solitary wave solutions of the (2 + 1)-dimensional equation. Findings: By considering the ansatz method, the authors successfully construct the bright and dark soliton solutions of the equation. The sub-equation method is also extended to find its complexitons solutions. Moreover, the explicit power series solution is also derived with its convergence analysis. Finally, the influences of each parameter on these solutions are discussed via graphical analysis. Originality Value: The dynamics of these solutions are analyzed to enrich the diversity of the dynamics of high-dimensional nonlinear Schrödinger equation type nonlinear wave fields. [ABSTRACT FROM AUTHOR]

After years of stops, starts and stops again, the J.P. Morgan Healthcare Conference has returned to the city by the bay in full form. We've compiled the biggest medtech news so far, bite-sized. [ABSTRACT FROM AUTHOR]

The AI-powered drug designer Schrödinger is growing its to-do list, with two Big Pharma collaborations focused in neuroscience. [ABSTRACT FROM AUTHOR]

Eli Lilly has joined Schrödinger's growing stable of drug development partners, putting up $425 million in milestones to access small molecules. [ABSTRACT FROM AUTHOR]

We show how the highly accurate and efficient Constant Perturbation (CP) technique for steady-state Schrödinger problems can be used in the solution of time-dependent Schrödinger problems with explicitly time-dependent Hamiltonians, following a technique suggested by Ixaru (2010). By introducing a sectorwise spatial discretization using bases of accurately CP-computed eigenfunctions of carefully-chosen stationary problems, we deal with the possible highly oscillatory behavior of the wave function while keeping the dimension of the resulting ODE system low. Also for the time-integration of the ODE system a very effective CP-based approach can be used. [ABSTRACT FROM AUTHOR]

When Karen Akinsanya, Ph.D., met for an interview, there was a palpable sense of both relief and excitement. [ABSTRACT FROM AUTHOR]

After working with Big Pharmas to accelerate their research programs, the molecule modeler Schrödinger is taking its first steps as a biotech. [ABSTRACT FROM AUTHOR]

Abstract: We discuss the automatic solution of the multichannel Schrödinger equation. The proposed approach is based on the use of a CP method for which the step size is not restricted by the oscillations in the solution. Moreover, this CP method turns out to form a natural scheme for the integration of the Riccati differential equation which arises when introducing the (inverse) logarithmic derivative. A new Prüfer type mechanism which derives all the required information from the propagation of the inverse of the log-derivative, is introduced. It improves and refines the eigenvalue shooting process and implies that the user may specify the required eigenvalue by its index. Program summary: Program title: MATCAS Catalogue identifier: AEON_v1_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AEON_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC license, http://cpc.cs.qub.ac.uk/license/license.html No. of lines in distributed program, including test data, etc.: 3822 No. of bytes in distributed program, including test data, etc.: 119814 Distribution format: tar.gz Programming language: Matlab. Computer: Personal computer architectures. Operating system: Windows, Linux, Mac (all systems on which Matlab can be installed). RAM: Depends on the problem size. Classification: 4.3. Nature of problem: Computation of eigenvalues and eigenfunctions of multichannel Schrödinger equations appearing in quantum mechanics. Solution method: A CP-based propagation scheme is used to advance the -matrix in a shooting process. The shooting algorithm is supplemented by a Prüfer type mechanism which allows the eigenvalues to be computed according to index: the user specifies an integer , and the code computes an approximation to the th eigenvalue. Eigenfunctions are also available through an auxiliary routine, called after the eigenvalue has been determined. Restrictions: The program can only deal with non-singular problems. Additional comments: Along with the program’s source code, we provide several sample configuration files. Running time: The running time depends on the size n of the problem and the number of eigenvalues/eigenfunctions computed. For a small problem the runtime should not exceed a few seconds. [Copyright &y& Elsevier]

Abstract: Finding the eigenvalues of a Sturm–Liouville problem can be a computationally challenging task, especially when a large set of eigenvalues is computed, or just when particularly large eigenvalues are sought. This is a consequence of the highly oscillatory behavior of the solutions corresponding to high eigenvalues, which forces a naive integrator to take increasingly smaller steps. We will discuss the most used approaches to the numerical solution of the Sturm–Liouville problem: finite differences and variational methods, both leading to a matrix eigenvalue problem; shooting methods using an initial-value solver; and coefficient approximation methods. Special attention will be paid to techniques that yield uniform approximation over the whole eigenvalue spectrum and that allow large steps even for high eigenvalues. [Copyright &y& Elsevier]

Abstract: The spectral methods offer very high spatial resolution for a wide range of nonlinear wave equations, so, for the best computational efficiency, it should be desirable to use also high order methods in time but without very strict restrictions on the step size by reason of numerical stability. In this paper we study the exponential time differencing fourth-order Runge–Kutta (ETDRK4) method; this scheme was derived by Cox and Matthews in [S.M. Cox, P.C. Matthews, Exponential time differencing for stiff systems, J. Comp. Phys. 176 (2002) 430–455] and was modified by Kassam and Trefethen in [A. Kassam, L.N. Trefethen, Fourth-order time stepping for stiff PDEs, SIAM J. Sci. Comp. 26 (2005) 1214–1233]. We compute its amplification factor and plot its stability region, which gives us an explanation of its good behavior for dissipative and dispersive problems. We apply this method to the Schrödinger equation, obtaining excellent results for the cubic equation and the critical exponent case and, later, as an experimental approach to describe the various possible asymptotic behaviors with two space variables. [Copyright &y& Elsevier]

We present in this paper an original ab initio Maxwell–Schrödinger model and a methodology to simulate intense ultrashort laser pulses interacting with a 3D H+ 2-gas in the nonlinear nonperturbative regime under and beyond Born–Oppenheimer approximation. The model we present is the first one to our knowledge (excepted in [E. Lorin, S. Chelkowski, A. Bandrauk, A Maxwell–Schrödinger model for non-perturbative laser–molecule interaction and some methods of numerical computation, Proceeding CRM, vol. 41, American Mathematics Society, 2007], where a one-dimensional version is presented) to be totally nonperturbative, vectorial and multidimensional, taking into account ionization, and high order nonlinearities going far beyond classical nonlinear Maxwell or Schrödinger models. After a presentation of the model and a short mathematical study, we examine some numerical approximations for its computation. In particular, we focus on the polarization computation allowing an efficient coupling between the Maxwell and time dependent Schrödinger equations (TDSE), and on an efficient parallelization. Examples of numerical computations of high order harmonic generation and of electric field propagation are presented for one molecule and up to 512, thus highlighting cooperative effects in harmonic generation at high order. [Copyright &y& Elsevier]

XTAL BioStructures was bought in a $6 million all-cash deal. The company includes 18 employees and a headquarters just outside Boston. [ABSTRACT FROM AUTHOR]

ShouTi raised $100 million in series B funds to bankroll clinical trials of its oral, small-molecule treatments in chronic diseases spanning cardiovascular, metabolic and pulmonary conditions. The San Francisco and Shanghai biotech has raised $158 million since its 2019 inception. [ABSTRACT FROM AUTHOR]

The status of Schrödinger's cat may be up in the air, but Schrödinger's computational drug discovery platform is certainly still alive and kicking. [ABSTRACT FROM AUTHOR]

Abstract: In this paper we propose a new accurate approach to compute integrals arrays of the electron density and energy density in a multi-layered high electron mobility transistors (HEMTs) device. These new formulas enable the user to calculate efficiently the certain integrals. Example results on the simulation of a certain integrals are given to demonstrate the efficiency of the new scheme. The results are compared with other theoretical calculation results. The convergence rate of the series is estimated and discussed. [Copyright &y& Elsevier]